[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine

C14H10ClF4N — CID 107289712

IUPAC[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1Cl
InChIInChI=1S/C14H10ClF4N/c15-12-5-8(1-2-10(12)7-20)9-3-4-11(13(16)6-9)14(17,18)19/h1-6H,7,20H2
InChIKeyZJHQGGFHELTOII-UHFFFAOYSA-N
MW303.69 g/mol
LogP4.62
Rot. Bonds2

About [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine

[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine (PubChem CID 107289712) has the molecular formula C14H10ClF4N and a molecular weight of 303.69 g/mol. Its IUPAC name is [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
PubChem CID107289712
Molecular FormulaC14H10ClF4N
Molecular Weight303.69 g/mol
Exact Mass303.04
IUPAC Name[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine
SMILESNCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1Cl
InChIInChI=1S/C14H10ClF4N/c15-12-5-8(1-2-10(12)7-20)9-3-4-11(13(16)6-9)14(17,18)19/h1-6H,7,20H2
InChIKeyZJHQGGFHELTOII-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
[2,4-dichloro-5-(trifluoromethyl)phenyl]methanamine
CID 171014545
3-chloro-6-[3-fluoro-4-(trifluoromethyl)phenyl]pyridazine
CID 107290372
[2-chloro-4-(1H-pyrrol-2-yl)phenyl]methanamine
CID 103341668
2-(2-chlorophenyl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 107288838
[4-(2,4-dichlorophenoxy)-2-(trifluoromethyl)phenyl]methanamine
CID 43528649
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
1-(chloromethyl)-4-(4-chlorophenyl)-2-(trifluoromethyl)benzene
CID 22326912
4-ethyl-2-[3-fluoro-4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 122488012
[5-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methoxyphenyl]methanamine
CID 107289743

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine?
The IUPAC name of [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine (CID 107289712) is [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine?
The canonical SMILES for [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine is NCc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cc1Cl.
What is the InChIKey of [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine?
The InChIKey is ZJHQGGFHELTOII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF4N/c15-12-5-8(1-2-10(12)7-20)9-3-4-11(13(16)6-9)14(17,18)19/h1-6H,7,20H2.
What are the key properties of [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine?
[2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine has a molecular weight of 303.69 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]methanamine is sourced from PubChem (CID 107289712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).