[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine

C14H11F4N — CID 134631455

IUPAC[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(-c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H11F4N/c15-13-9(8-19)4-3-6-11(13)10-5-1-2-7-12(10)14(16,17)18/h1-7H,8,19H2
InChIKeyNCAAYMIDOGPYSQ-UHFFFAOYSA-N
MW269.24 g/mol
LogP3.97
Rot. Bonds2

About [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine

[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 134631455) has the molecular formula C14H11F4N and a molecular weight of 269.24 g/mol. Its IUPAC name is [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID134631455
Molecular FormulaC14H11F4N
Molecular Weight269.24 g/mol
Exact Mass269.08
IUPAC Name[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(-c2ccccc2C(F)(F)F)c1F
InChIInChI=1S/C14H11F4N/c15-13-9(8-19)4-3-6-11(13)10-5-1-2-7-12(10)14(16,17)18/h1-7H,8,19H2
InChIKeyNCAAYMIDOGPYSQ-UHFFFAOYSA-N
XLogP3.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.24
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631566
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 162318731
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 70700248
[2-chloro-3-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 119001005
[2-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]methanamine
CID 117137631
4-fluoro-3,5-bis[2-(trifluoromethyl)phenyl]pyridine
CID 133089510
3-[2-(trifluoromethyl)phenyl]benzene-1,2-diamine
CID 69026601
2-fluoro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
CID 134620153
2-(aminomethyl)-6-(trifluoromethyl)benzonitrile
CID 86617537

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine (CID 134631455) is [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1cccc(-c2ccccc2C(F)(F)F)c1F.
What is the InChIKey of [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is NCAAYMIDOGPYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F4N/c15-13-9(8-19)4-3-6-11(13)10-5-1-2-7-12(10)14(16,17)18/h1-7H,8,19H2.
What are the key properties of [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 269.24 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 134631455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).