[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine

C13H10F4N2 — CID 97058158

IUPAC[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cnc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H10F4N2/c14-10-3-1-8(2-4-10)12-5-11(13(15,16)17)9(6-18)7-19-12/h1-5,7H,6,18H2
InChIKeyTWJRYMXTNXBPGF-UHFFFAOYSA-N
MW270.23 g/mol
LogP3.37
Rot. Bonds2

About [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine

[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 97058158) has the molecular formula C13H10F4N2 and a molecular weight of 270.23 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID97058158
Molecular FormulaC13H10F4N2
Molecular Weight270.23 g/mol
Exact Mass270.08
IUPAC Name[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESNCc1cnc(-c2ccc(F)cc2)cc1C(F)(F)F
InChIInChI=1S/C13H10F4N2/c14-10-3-1-8(2-4-10)12-5-11(13(15,16)17)9(6-18)7-19-12/h1-5,7H,6,18H2
InChIKeyTWJRYMXTNXBPGF-UHFFFAOYSA-N
XLogP3.37
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.23
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine (CID 97058158) is [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine is NCc1cnc(-c2ccc(F)cc2)cc1C(F)(F)F.
What is the InChIKey of [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is TWJRYMXTNXBPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F4N2/c14-10-3-1-8(2-4-10)12-5-11(13(15,16)17)9(6-18)7-19-12/h1-5,7H,6,18H2.
What are the key properties of [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine?
[6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 270.23 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-4-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 97058158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).