[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine

C14H12F3NO — CID 54910780

IUPAC[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
SMILESCOc1cc(F)c(-c2cc(CN)ccc2F)c(F)c1
InChIInChI=1S/C14H12F3NO/c1-19-9-5-12(16)14(13(17)6-9)10-4-8(7-18)2-3-11(10)15/h2-6H,7,18H2,1H3
InChIKeyGSJFQHANVQVIKP-UHFFFAOYSA-N
MW267.25 g/mol
LogP3.24
Rot. Bonds3

About [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine

[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine (PubChem CID 54910780) has the molecular formula C14H12F3NO and a molecular weight of 267.25 g/mol. Its IUPAC name is [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine.

Molecular Properties

Compound Name[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
PubChem CID54910780
Molecular FormulaC14H12F3NO
Molecular Weight267.25 g/mol
Exact Mass267.09
IUPAC Name[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine
SMILESCOc1cc(F)c(-c2cc(CN)ccc2F)c(F)c1
InChIInChI=1S/C14H12F3NO/c1-19-9-5-12(16)14(13(17)6-9)10-4-8(7-18)2-3-11(10)15/h2-6H,7,18H2,1H3
InChIKeyGSJFQHANVQVIKP-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
The IUPAC name of [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine (CID 54910780) is [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine.
What is the SMILES notation for [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
The canonical SMILES for [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine is COc1cc(F)c(-c2cc(CN)ccc2F)c(F)c1.
What is the InChIKey of [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
The InChIKey is GSJFQHANVQVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO/c1-19-9-5-12(16)14(13(17)6-9)10-4-8(7-18)2-3-11(10)15/h2-6H,7,18H2,1H3.
What are the key properties of [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine?
[3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine has a molecular weight of 267.25 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,6-difluoro-4-methoxyphenyl)-4-fluorophenyl]methanamine is sourced from PubChem (CID 54910780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).