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

C15H11F6N — CID 134631566

IUPAC[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-6-2-1-5-10(11)13-9(8-22)4-3-7-12(13)15(19,20)21/h1-7H,8,22H2
InChIKeyOUTUDRZBJAIXBW-UHFFFAOYSA-N
MW319.25 g/mol
LogP4.85
Rot. Bonds2

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

[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 134631566) has the molecular formula C15H11F6N and a molecular weight of 319.25 g/mol. Its IUPAC name is [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID134631566
Molecular FormulaC15H11F6N
Molecular Weight319.25 g/mol
Exact Mass319.08
IUPAC Name[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F6N/c16-14(17,18)11-6-2-1-5-10(11)13-9(8-22)4-3-7-12(13)15(19,20)21/h1-7H,8,22H2
InChIKeyOUTUDRZBJAIXBW-UHFFFAOYSA-N
XLogP4.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
[2-fluoro-3-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 134631455
[2-phenyl-3-(trifluoromethyl)phenyl]methanamine
CID 46315138
2,2,2-trifluoroacetic acid;[2-[2-(trifluoromethyl)phenyl]phenyl]methanamine
CID 162318731
2-[2-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)phenyl]ethanamine
CID 118854667
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
[2-bromo-3-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 70700248
2-[2-(2-aminoethoxy)ethoxy]ethanamine;[2-(trifluoromethyl)phenyl]methanamine
CID 70118459
N,N-dimethyl-3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]aniline
CID 118813099
2-(aminomethyl)-6-(trifluoromethyl)benzonitrile
CID 86617537
[2-chloro-3-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 119001005

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine (CID 134631566) is [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1cccc(C(F)(F)F)c1-c1ccccc1C(F)(F)F.
What is the InChIKey of [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is OUTUDRZBJAIXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N/c16-14(17,18)11-6-2-1-5-10(11)13-9(8-22)4-3-7-12(13)15(19,20)21/h1-7H,8,22H2.
What are the key properties of [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine?
[3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 319.25 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 134631566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).