3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine

C19H13F4N — CID 56672365

IUPAC3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1ccccc1C(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C19H13F4N/c20-17-6-2-1-5-16(17)18(14-4-3-11-24-12-14)13-7-9-15(10-8-13)19(21,22)23/h1-12,18H
InChIKeyRWSXQDGYJOCILV-UHFFFAOYSA-N
MW331.31 g/mol
LogP5.42
Rot. Bonds3

About 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine

3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine (PubChem CID 56672365) has the molecular formula C19H13F4N and a molecular weight of 331.31 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine
PubChem CID56672365
Molecular FormulaC19H13F4N
Molecular Weight331.31 g/mol
Exact Mass331.10
IUPAC Name3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine
SMILESFc1ccccc1C(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C19H13F4N/c20-17-6-2-1-5-16(17)18(14-4-3-11-24-12-14)13-7-9-15(10-8-13)19(21,22)23/h1-12,18H
InChIKeyRWSXQDGYJOCILV-UHFFFAOYSA-N
XLogP5.42
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.31
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The IUPAC name of 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine (CID 56672365) is 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine.
What is the SMILES notation for 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The canonical SMILES for 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine is Fc1ccccc1C(c1ccc(C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
The InChIKey is RWSXQDGYJOCILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F4N/c20-17-6-2-1-5-16(17)18(14-4-3-11-24-12-14)13-7-9-15(10-8-13)19(21,22)23/h1-12,18H.
What are the key properties of 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine?
3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine has a molecular weight of 331.31 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)-[4-(trifluoromethyl)phenyl]methyl]pyridine is sourced from PubChem (CID 56672365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).