[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine

C13H9ClF3N — CID 114275253

IUPAC[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(-c2c(Cl)ccc(F)c2F)c(F)c1
InChIInChI=1S/C13H9ClF3N/c14-9-3-4-10(15)13(17)12(9)8-2-1-7(6-18)5-11(8)16/h1-5H,6,18H2
InChIKeyLIECVJJWHXGZES-UHFFFAOYSA-N
MW271.67 g/mol
LogP3.88
Rot. Bonds2

About [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine

[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine (PubChem CID 114275253) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine.

Molecular Properties

Compound Name[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
PubChem CID114275253
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine
SMILESNCc1ccc(-c2c(Cl)ccc(F)c2F)c(F)c1
InChIInChI=1S/C13H9ClF3N/c14-9-3-4-10(15)13(17)12(9)8-2-1-7(6-18)5-11(8)16/h1-5H,6,18H2
InChIKeyLIECVJJWHXGZES-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

[4-(3-bromo-2,6-difluorophenyl)-3-fluorophenyl]methanamine
CID 106943356
2-[4-(2,6-dichlorophenyl)-3-fluorophenyl]ethanamine
CID 118841835
[3-(2,4-dichlorophenyl)-4-fluorophenyl]methanamine
CID 61271772
[4-(4-chloro-2,5-dimethylphenyl)-3-fluorophenyl]methanamine
CID 81441213
[3-chloro-4-(2,4,6-trichlorophenyl)phenyl]methanamine
CID 104729116
(3-chloro-4-fluorophenyl)methanamine;methoxymethane
CID 144849872
[4-(2,6-dimethoxyphenyl)-3-fluorophenyl]methanamine
CID 116810937
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
[4-[(3,5-dichlorophenoxy)methyl]-3-fluorophenyl]methanamine
CID 43621898
[3-(3-chloro-5-fluorophenyl)-4-fluorophenyl]methanamine
CID 113324837
[3-(2,3-dichlorophenyl)-4-fluorophenyl]methanamine
CID 54912158
[4-(2,4-dichlorophenoxy)-3-fluorophenyl]methanamine
CID 28966222

Frequently Asked Questions

What is the IUPAC name of [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine?
The IUPAC name of [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine (CID 114275253) is [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine.
What is the SMILES notation for [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine?
The canonical SMILES for [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine is NCc1ccc(-c2c(Cl)ccc(F)c2F)c(F)c1.
What is the InChIKey of [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine?
The InChIKey is LIECVJJWHXGZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-9-3-4-10(15)13(17)12(9)8-2-1-7(6-18)5-11(8)16/h1-5H,6,18H2.
What are the key properties of [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine?
[4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine has a molecular weight of 271.67 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloro-2,3-difluorophenyl)-3-fluorophenyl]methanamine is sourced from PubChem (CID 114275253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).