2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine

C15H14F3N — CID 58439451

IUPAC2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1-c1ccc(C(F)F)cc1F
InChIInChI=1S/C15H14F3N/c1-9(2)11-4-3-7-19-14(11)12-6-5-10(15(17)18)8-13(12)16/h3-9,15H,1-2H3
InChIKeyWSVQGRHTXBFZBV-UHFFFAOYSA-N
MW265.28 g/mol
LogP4.95
Rot. Bonds3

About 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine

2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine (PubChem CID 58439451) has the molecular formula C15H14F3N and a molecular weight of 265.28 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine
PubChem CID58439451
Molecular FormulaC15H14F3N
Molecular Weight265.28 g/mol
Exact Mass265.11
IUPAC Name2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine
SMILESCC(C)c1cccnc1-c1ccc(C(F)F)cc1F
InChIInChI=1S/C15H14F3N/c1-9(2)11-4-3-7-19-14(11)12-6-5-10(15(17)18)8-13(12)16/h3-9,15H,1-2H3
InChIKeyWSVQGRHTXBFZBV-UHFFFAOYSA-N
XLogP4.95
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.28
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine?
The IUPAC name of 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine (CID 58439451) is 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine.
What is the SMILES notation for 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine?
The canonical SMILES for 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine is CC(C)c1cccnc1-c1ccc(C(F)F)cc1F.
What is the InChIKey of 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine?
The InChIKey is WSVQGRHTXBFZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N/c1-9(2)11-4-3-7-19-14(11)12-6-5-10(15(17)18)8-13(12)16/h3-9,15H,1-2H3.
What are the key properties of 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine?
2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine has a molecular weight of 265.28 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethyl)-2-fluorophenyl]-3-propan-2-ylpyridine is sourced from PubChem (CID 58439451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).