[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine

C14H13F2N — CID 54911715

IUPAC[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
SMILESCc1cc(-c2ccc(CN)c(F)c2)ccc1F
InChIInChI=1S/C14H13F2N/c1-9-6-10(4-5-13(9)15)11-2-3-12(8-17)14(16)7-11/h2-7H,8,17H2,1H3
InChIKeyABIYOQSBPSBZAS-UHFFFAOYSA-N
MW233.26 g/mol
LogP3.40
Rot. Bonds2

About [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine

[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine (PubChem CID 54911715) has the molecular formula C14H13F2N and a molecular weight of 233.26 g/mol. Its IUPAC name is [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
PubChem CID54911715
Molecular FormulaC14H13F2N
Molecular Weight233.26 g/mol
Exact Mass233.10
IUPAC Name[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine
SMILESCc1cc(-c2ccc(CN)c(F)c2)ccc1F
InChIInChI=1S/C14H13F2N/c1-9-6-10(4-5-13(9)15)11-2-3-12(8-17)14(16)7-11/h2-7H,8,17H2,1H3
InChIKeyABIYOQSBPSBZAS-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine?
The IUPAC name of [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine (CID 54911715) is [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine is Cc1cc(-c2ccc(CN)c(F)c2)ccc1F.
What is the InChIKey of [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine?
The InChIKey is ABIYOQSBPSBZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N/c1-9-6-10(4-5-13(9)15)11-2-3-12(8-17)14(16)7-11/h2-7H,8,17H2,1H3.
What are the key properties of [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine?
[2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine has a molecular weight of 233.26 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-4-(4-fluoro-3-methylphenyl)phenyl]methanamine is sourced from PubChem (CID 54911715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).