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2D Structure
Also known as: 878208-57-2, (6-fluoro-3,4-dihydro-2h-chromen-2-yl)-piperidin-1-ylmethanone, (6-fluorochroman-2-yl)(piperidin-1-yl)methanone, Starbld0001998, Schembl8269287, Dtxsid80730838
Molecular Formula
C15H18FNO2
Molecular Weight
263.31  g/mol
InChI Key
KCQCIGZMHMLFSE-UHFFFAOYSA-N

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(6-fluoro-3,4-dihydro-2H-chromen-2-yl)-piperidin-1-ylmethanone
2.1.2 InChI
InChI=1S/C15H18FNO2/c16-12-5-7-13-11(10-12)4-6-14(19-13)15(18)17-8-2-1-3-9-17/h5,7,10,14H,1-4,6,8-9H2
2.1.3 InChI Key
KCQCIGZMHMLFSE-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1CCN(CC1)C(=O)C2CCC3=C(O2)C=CC(=C3)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 878208-57-2

2. (6-fluoro-3,4-dihydro-2h-chromen-2-yl)-piperidin-1-ylmethanone

3. (6-fluorochroman-2-yl)(piperidin-1-yl)methanone

4. Starbld0001998

5. Schembl8269287

6. Dtxsid80730838

7. Ft-0668636

8. (6-fluoro-3,4-dihydro-2h-1-benzopyran-2-yl)(piperidin-1-yl)methanone

2.3 Create Date
2012-08-19
3 Chemical and Physical Properties
Molecular Weight 263.31 g/mol
Molecular Formula C15H18FNO2
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass263.13215698 g/mol
Monoisotopic Mass263.13215698 g/mol
Topological Polar Surface Area29.5 Ų
Heavy Atom Count19
Formal Charge0
Complexity330
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1