3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine

C11H10F5N — CID 174946323

IUPAC3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine
SMILESFC1(F)CCC(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H10F5N/c12-10(13)3-1-7(5-10)8-6-17-4-2-9(8)11(14,15)16/h2,4,6-7H,1,3,5H2
InChIKeyZUEFWIVITSLVAF-UHFFFAOYSA-N
MW251.20 g/mol
LogP4.00
Rot. Bonds1

About 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine

3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine (PubChem CID 174946323) has the molecular formula C11H10F5N and a molecular weight of 251.20 g/mol. Its IUPAC name is 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine
PubChem CID174946323
Molecular FormulaC11H10F5N
Molecular Weight251.20 g/mol
Exact Mass251.07
IUPAC Name3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine
SMILESFC1(F)CCC(c2cnccc2C(F)(F)F)C1
InChIInChI=1S/C11H10F5N/c12-10(13)3-1-7(5-10)8-6-17-4-2-9(8)11(14,15)16/h2,4,6-7H,1,3,5H2
InChIKeyZUEFWIVITSLVAF-UHFFFAOYSA-N
XLogP4.00
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4,4-difluorocyclohexyl)-[4-(trifluoromethyl)-3-pyridinyl]methanamine
CID 102710009
3-piperidin-2-yl-4-(trifluoromethyl)pyridine
CID 103692989
3-(2-chlorocycloheptyl)-4-(trifluoromethyl)pyridine
CID 102708804
(3-methylazetidin-3-yl)-[4-[4-(trifluoromethyl)-3-pyridinyl]piperidin-1-yl]methanone
CID 171439279
2-methyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-one
CID 102708865
[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine
CID 102709208
1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
CID 112706938
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707349
dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 112743417
3-methyl-N-propyl-3-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708933
N-propyl-2-[4-(trifluoromethyl)-3-pyridinyl]cyclopentan-1-amine
CID 102708824
2-(3,3-difluorocyclopentyl)-4-[(3-fluoro-4-pyridinyl)methyl]-1,3-oxazole;ethane
CID 170752750

Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine?
The IUPAC name of 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine (CID 174946323) is 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine is FC1(F)CCC(c2cnccc2C(F)(F)F)C1.
What is the InChIKey of 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine?
The InChIKey is ZUEFWIVITSLVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5N/c12-10(13)3-1-7(5-10)8-6-17-4-2-9(8)11(14,15)16/h2,4,6-7H,1,3,5H2.
What are the key properties of 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine?
3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine has a molecular weight of 251.20 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluorocyclopentyl)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 174946323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).