1 2D Structure

2D Structure

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 Formula	C₇H₆F₃NO
Molecular Weight	177.12 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	177.04014830 g/mol
Monoisotopic Mass	177.04014830 g/mol
Topological Polar Surface Area	21.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	131
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

Trifluoromethoxyaniline