[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine

C14H12F3N — CID 82822985

IUPAC[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
SMILESCc1ccc(F)c(-c2ccc(F)c(CN)c2)c1F
InChIInChI=1S/C14H12F3N/c1-8-2-4-12(16)13(14(8)17)9-3-5-11(15)10(6-9)7-18/h2-6H,7,18H2,1H3
InChIKeyRAZAPCYPSJQMHK-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.54
Rot. Bonds2

About [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine

[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine (PubChem CID 82822985) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine.

Molecular Properties

Compound Name[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
PubChem CID82822985
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine
SMILESCc1ccc(F)c(-c2ccc(F)c(CN)c2)c1F
InChIInChI=1S/C14H12F3N/c1-8-2-4-12(16)13(14(8)17)9-3-5-11(15)10(6-9)7-18/h2-6H,7,18H2,1H3
InChIKeyRAZAPCYPSJQMHK-UHFFFAOYSA-N
XLogP3.54
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine?
The IUPAC name of [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine (CID 82822985) is [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine.
What is the SMILES notation for [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine?
The canonical SMILES for [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine is Cc1ccc(F)c(-c2ccc(F)c(CN)c2)c1F.
What is the InChIKey of [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine?
The InChIKey is RAZAPCYPSJQMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-8-2-4-12(16)13(14(8)17)9-3-5-11(15)10(6-9)7-18/h2-6H,7,18H2,1H3.
What are the key properties of [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine?
[5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine has a molecular weight of 251.25 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,6-difluoro-3-methylphenyl)-2-fluorophenyl]methanamine is sourced from PubChem (CID 82822985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).