3,3-difluoro-4-propan-2-ylpiperidine

C8H15F2N — CID 58394614

IUPAC3,3-difluoro-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyPPSRVDFDWSILKR-UHFFFAOYSA-N
MW163.21 g/mol
LogP1.89
Rot. Bonds1

About 3,3-difluoro-4-propan-2-ylpiperidine

3,3-difluoro-4-propan-2-ylpiperidine (PubChem CID 58394614) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-propan-2-ylpiperidine
PubChem CID58394614
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-4-propan-2-ylpiperidine
SMILESCC(C)C1CCNCC1(F)F
InChIInChI=1S/C8H15F2N/c1-6(2)7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3
InChIKeyPPSRVDFDWSILKR-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3,3-difluoro-4-propan-2-yloxypiperidine
CID 121261754
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
(4S)-3,3-difluoro-N,N-dimethylpiperidin-4-amine
CID 125499591
6,6-difluoro-1,7-di(propan-2-yl)-1,4-diazepane
CID 175613591
3,3-difluoro-4-propylpiperidine
CID 84651633
(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 154669081
3,3-difluoroazepane;ethane
CID 142117389
4-(azetidin-1-yl)-3,3-difluoropiperidine
CID 130999129
4-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine
CID 126845300
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
(4R)-3,3-difluoropiperidine-4-carboxylic acid;hydrochloride
CID 163342247

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-propan-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-4-propan-2-ylpiperidine (CID 58394614) is 3,3-difluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-propan-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-4-propan-2-ylpiperidine is CC(C)C1CCNCC1(F)F.
What is the InChIKey of 3,3-difluoro-4-propan-2-ylpiperidine?
The InChIKey is PPSRVDFDWSILKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)7-3-4-11-5-8(7,9)10/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3,3-difluoro-4-propan-2-ylpiperidine?
3,3-difluoro-4-propan-2-ylpiperidine has a molecular weight of 163.21 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 58394614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).