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Chemistry

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Also known as: Schembl742856, N-(trifluoromethoxy)benzenamine, Dtxsid201303297, Zinc19615989, Akos015890362, Ft-0654866
Molecular Formula
C7H6F3NO
Molecular Weight
177.12  g/mol
InChI Key
KKARCEJENGWHPP-UHFFFAOYSA-N

Trifluoromethoxyaniline
1 2D Structure

Trifluoromethoxyaniline

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-(trifluoromethoxy)aniline
2.1.2 InChI
InChI=1S/C7H6F3NO/c8-7(9,10)12-11-6-4-2-1-3-5-6/h1-5,11H
2.1.3 InChI Key
KKARCEJENGWHPP-UHFFFAOYSA-N
2.1.4 Canonical SMILES
C1=CC=C(C=C1)NOC(F)(F)F
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Schembl742856

2. N-(trifluoromethoxy)benzenamine

3. Dtxsid201303297

4. Zinc19615989

5. Akos015890362

6. Ft-0654866

7. 1033202-66-2

2.3 Create Date
2007-12-04
3 Chemical and Physical Properties
Molecular Weight 177.12 g/mol
Molecular Formula C7H6F3NO
XLogP33.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass177.04014830 g/mol
Monoisotopic Mass177.04014830 g/mol
Topological Polar Surface Area21.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity131
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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13-Jan-2023
28-Jun-2023
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