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

C14H10ClF4N — CID 64713791

IUPAC(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1C(F)(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C14H10ClF4N/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13H,20H2
InChIKeyYUYQNZBVTRRWSM-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.55
Rot. Bonds2

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

(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 64713791) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID64713791
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1C(F)(F)F)c1cccc(Cl)c1F
InChIInChI=1S/C14H10ClF4N/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13H,20H2
InChIKeyYUYQNZBVTRRWSM-UHFFFAOYSA-N
XLogP4.55
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.69
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-bromo-3-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine
CID 115853945
(3-chloro-2-fluorophenyl)-(2,3-difluoro-4-methylphenyl)methanamine
CID 107513399
(3-chloro-2-fluorophenyl)-(2,3-dimethylphenyl)methanamine
CID 64713808
(3-chloro-2-fluorophenyl)-(2-fluoro-3-methoxyphenyl)methanamine
CID 82808026
(2-chlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102708099
(3-chloro-4-methylphenyl)-[2-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107560543
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
(S)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethanamine
CID 131296076
(2-tert-butylphenyl)-(2,3-dichlorophenyl)methanamine
CID 115851470
(2,3-dichlorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102709770
[(3-chloro-2-pyridinyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 103445745
(4-bromo-5-chloro-2-fluorophenyl)-(3-chloro-2-fluorophenyl)methanamine
CID 105398594

Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine (CID 64713791) is (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ccccc1C(F)(F)F)c1cccc(Cl)c1F.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is YUYQNZBVTRRWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-11-7-3-5-9(12(11)16)13(20)8-4-1-2-6-10(8)14(17,18)19/h1-7,13H,20H2.
What are the key properties of (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine?
(3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 303.69 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 64713791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).