[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine

C13H9ClF3N — CID 20837582

IUPAC[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C13H9ClF3N/c14-12-3-8(4-13(17)11(12)6-18)7-1-9(15)5-10(16)2-7/h1-5H,6,18H2
InChIKeyIPMPAARLZXLTDH-UHFFFAOYSA-N
MW271.67 g/mol
LogP3.88
Rot. Bonds2

About [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine

[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine (PubChem CID 20837582) has the molecular formula C13H9ClF3N and a molecular weight of 271.67 g/mol. Its IUPAC name is [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine
PubChem CID20837582
Molecular FormulaC13H9ClF3N
Molecular Weight271.67 g/mol
Exact Mass271.04
IUPAC Name[2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine
SMILESNCc1c(F)cc(-c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C13H9ClF3N/c14-12-3-8(4-13(17)11(12)6-18)7-1-9(15)5-10(16)2-7/h1-5H,6,18H2
InChIKeyIPMPAARLZXLTDH-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

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Related Compounds

molecular hydrogen;(2,4,6-trifluorophenyl)methanamine
CID 169236849
1-(3-chloro-4-fluorophenyl)-3,5-difluorobenzene
CID 142366576
[4-(3-chloro-5-fluorophenyl)-2,6-dimethylphenyl]methanamine
CID 172876806
[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
CID 171016039
1,2-dichloro-4-(3,5-difluorophenyl)benzene
CID 134623188
2-[2-chloro-4-(3,5-difluorophenyl)phenyl]acetic acid
CID 176516224
(2-chloro-4-fluoro-6-nitrophenyl)methanamine
CID 171016253
[2,4-dichloro-6-(4-fluorophenyl)phenyl]methanamine
CID 19807615
2-(2,4,6-trifluorophenyl)ethanamine
CID 10631080
[3-(2,4-dichlorophenyl)-5-fluorophenyl]methanamine
CID 134631440
2-(2-chloro-4,6-difluorophenyl)acetonitrile
CID 119020113
1,3-dichloro-2-ethyl-5-(4-fluorophenyl)benzene
CID 143567978

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine?
The IUPAC name of [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine (CID 20837582) is [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine?
The canonical SMILES for [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine is NCc1c(F)cc(-c2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine?
The InChIKey is IPMPAARLZXLTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3N/c14-12-3-8(4-13(17)11(12)6-18)7-1-9(15)5-10(16)2-7/h1-5H,6,18H2.
What are the key properties of [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine?
[2-chloro-4-(3,5-difluorophenyl)-6-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 [2-chloro-4-(3,5-difluorophenyl)-6-fluorophenyl]methanamine is sourced from PubChem (CID 20837582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).