(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine

C13H9ClF3N — CID 114025088

IUPAC(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9ClF3N/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13H,18H2
InChIKeyHPWGADLHUOEUJT-UHFFFAOYSA-N
MW271.67 g/mol
LogP3.81
Rot. Bonds2

About (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine

(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine (PubChem CID 114025088) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
PubChem CID114025088
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
SMILESNC(c1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H9ClF3N/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13H,18H2
InChIKeyHPWGADLHUOEUJT-UHFFFAOYSA-N
XLogP3.81
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-chloro-3-fluorophenyl)-(4-fluoro-3-methylphenyl)methanamine
CID 114025071
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanamine
CID 43197530
(4-chloro-3-fluorophenyl)-(2-chlorophenyl)methanamine
CID 114024968
(4-chloro-3-fluorophenyl)-(3-fluoro-5-methylphenyl)methanamine
CID 107994515
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(4-chloro-3-fluorophenyl)-(3,4-dimethoxyphenyl)methanamine
CID 107992884
(4-chloro-3-fluorophenyl)-(4-cyclobutylphenyl)methanamine
CID 107995408
(4-chloro-3-fluorophenyl)-(furan-2-yl)methanamine
CID 107993178
(1S)-1-(4-chloro-3-fluorophenyl)-2,2,2-trifluoroethanamine
CID 56971915
(1S)-1-(4-chloro-3-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130974244

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine (CID 114025088) is (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine is NC(c1ccc(F)c(F)c1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
The InChIKey is HPWGADLHUOEUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-9-3-1-7(5-11(9)16)13(18)8-2-4-10(15)12(17)6-8/h1-6,13H,18H2.
What are the key properties of (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine?
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine has a molecular weight of 271.67 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine is sourced from PubChem (CID 114025088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).