2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine

C13H16F3N — CID 170152077

IUPAC2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine
SMILESFC(F)c1ccc(CC2(F)CCCCC2)cn1
InChIInChI=1S/C13H16F3N/c14-12(15)11-5-4-10(9-17-11)8-13(16)6-2-1-3-7-13/h4-5,9,12H,1-3,6-8H2
InChIKeyLKANUCAVOLBITJ-UHFFFAOYSA-N
MW243.27 g/mol
LogP4.23
Rot. Bonds3

About 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine

2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine (PubChem CID 170152077) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine
PubChem CID170152077
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine
SMILESFC(F)c1ccc(CC2(F)CCCCC2)cn1
InChIInChI=1S/C13H16F3N/c14-12(15)11-5-4-10(9-17-11)8-13(16)6-2-1-3-7-13/h4-5,9,12H,1-3,6-8H2
InChIKeyLKANUCAVOLBITJ-UHFFFAOYSA-N
XLogP4.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine?
The IUPAC name of 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine (CID 170152077) is 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine?
The canonical SMILES for 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine is FC(F)c1ccc(CC2(F)CCCCC2)cn1.
What is the InChIKey of 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine?
The InChIKey is LKANUCAVOLBITJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c14-12(15)11-5-4-10(9-17-11)8-13(16)6-2-1-3-7-13/h4-5,9,12H,1-3,6-8H2.
What are the key properties of 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine?
2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine has a molecular weight of 243.27 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-5-[(1-fluorocyclohexyl)methyl]pyridine is sourced from PubChem (CID 170152077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).