2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine

C18H17F2N — CID 121280949

IUPAC2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine
SMILESFC1(F)CCC(=Cc2cccc(-c3ccccn3)c2)CC1
InChIInChI=1S/C18H17F2N/c19-18(20)9-7-14(8-10-18)12-15-4-3-5-16(13-15)17-6-1-2-11-21-17/h1-6,11-13H,7-10H2
InChIKeyYMQXPHDXLMIOFM-UHFFFAOYSA-N
MW285.34 g/mol
LogP5.34
Rot. Bonds2

About 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine

2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine (PubChem CID 121280949) has the molecular formula C18H17F2N and a molecular weight of 285.34 g/mol. Its IUPAC name is 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine
PubChem CID121280949
Molecular FormulaC18H17F2N
Molecular Weight285.34 g/mol
Exact Mass285.13
IUPAC Name2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine
SMILESFC1(F)CCC(=Cc2cccc(-c3ccccn3)c2)CC1
InChIInChI=1S/C18H17F2N/c19-18(20)9-7-14(8-10-18)12-15-4-3-5-16(13-15)17-6-1-2-11-21-17/h1-6,11-13H,7-10H2
InChIKeyYMQXPHDXLMIOFM-UHFFFAOYSA-N
XLogP5.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.34
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[3-(1-methylcyclopropyl)phenyl]pyridine
CID 59346149
2-[3-[4-[4-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]pyridine
CID 171461302
2-[3,5-bis[6-(3-pyridin-2-ylphenyl)-2-pyridinyl]phenyl]-6-(3-pyridin-2-ylphenyl)pyridine
CID 102128660
CID 88529992
CID 88529992
4-(3-pyridin-2-ylphenyl)-2-[4-(3-pyridin-2-ylphenyl)-2-pyridinyl]pyridine
CID 130326866
tris(2-[3-(3-fluorophenyl)phenyl]pyridine);iridium
CID 158235449
2-[3-[3-[3-[4-(1-phenylcyclopropyl)phenyl]phenyl]phenyl]phenyl]pyridine
CID 163572145
4-[3-[3-(3-pyridin-2-ylphenyl)phenyl]phenyl]benzaldehyde
CID 59800933
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
13,13-difluoro-6-pyridin-2-yl-1,4,9-triazatricyclo[8.5.0.03,8]pentadeca-3(8),4,6,9-tetraen-2-one
CID 71112349
trimethyl-(3-pyridin-2-ylphenyl)silane
CID 140721406
4-(3-pyridin-2-ylphenyl)pyrimidine
CID 172541875

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine?
The IUPAC name of 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine (CID 121280949) is 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine.
What is the SMILES notation for 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine?
The canonical SMILES for 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine is FC1(F)CCC(=Cc2cccc(-c3ccccn3)c2)CC1.
What is the InChIKey of 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine?
The InChIKey is YMQXPHDXLMIOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N/c19-18(20)9-7-14(8-10-18)12-15-4-3-5-16(13-15)17-6-1-2-11-21-17/h1-6,11-13H,7-10H2.
What are the key properties of 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine?
2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine has a molecular weight of 285.34 g/mol, XLogP of 5.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4,4-difluorocyclohexylidene)methyl]phenyl]pyridine is sourced from PubChem (CID 121280949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).