4-(4,4-difluorobutyl)pyridine

C9H11F2N — CID 141084245

IUPAC4-(4,4-difluorobutyl)pyridine
SMILESFC(F)CCCc1ccncc1
InChIInChI=1S/C9H11F2N/c10-9(11)3-1-2-8-4-6-12-7-5-8/h4-7,9H,1-3H2
InChIKeyZXDYBOORKWFTSI-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.67
Rot. Bonds4

About 4-(4,4-difluorobutyl)pyridine

4-(4,4-difluorobutyl)pyridine (PubChem CID 141084245) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 4-(4,4-difluorobutyl)pyridine.

Molecular Properties

Compound Name4-(4,4-difluorobutyl)pyridine
PubChem CID141084245
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name4-(4,4-difluorobutyl)pyridine
SMILESFC(F)CCCc1ccncc1
InChIInChI=1S/C9H11F2N/c10-9(11)3-1-2-8-4-6-12-7-5-8/h4-7,9H,1-3H2
InChIKeyZXDYBOORKWFTSI-UHFFFAOYSA-N
XLogP2.67
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-pyridin-4-ylethyl)pyridine;4-(3-pyridin-4-ylpropyl)pyridine
CID 161134187
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(8-pyridin-4-yloct-4-enyl)pyridine
CID 67224624
4-pyridin-4-ylbutylazanium chloride
CID 23273592
4-(4-phenylbutyl)pyridine;hydrochloride
CID 117066828
4-(3-tetradecylheptadecyl)pyridine
CID 90972273
4-(6-phenylhexyl)pyridine;hydrochloride
CID 117067698
5-pyridin-4-ylpentylazanium chloride
CID 23273749
4-(6-bromohexyl)pyridine
CID 10633887
methyl 2-amino-5-pyridin-4-ylpentanoate
CID 116851646
4-(4-ethylsulfanylbutyl)pyridine
CID 173323988

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluorobutyl)pyridine?
The IUPAC name of 4-(4,4-difluorobutyl)pyridine (CID 141084245) is 4-(4,4-difluorobutyl)pyridine.
What is the SMILES notation for 4-(4,4-difluorobutyl)pyridine?
The canonical SMILES for 4-(4,4-difluorobutyl)pyridine is FC(F)CCCc1ccncc1.
What is the InChIKey of 4-(4,4-difluorobutyl)pyridine?
The InChIKey is ZXDYBOORKWFTSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c10-9(11)3-1-2-8-4-6-12-7-5-8/h4-7,9H,1-3H2.
What are the key properties of 4-(4,4-difluorobutyl)pyridine?
4-(4,4-difluorobutyl)pyridine has a molecular weight of 171.19 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorobutyl)pyridine is sourced from PubChem (CID 141084245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).