3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine

C9H15F2N — CID 170642221

IUPAC3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C)C(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-7(2)12-5-4-8(3)9(10,11)6-12/h8H,1,4-6H2,2-3H3
InChIKeyLFKZPOITBNPHCK-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds1

About 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine

3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine (PubChem CID 170642221) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
PubChem CID170642221
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C)C(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-7(2)12-5-4-8(3)9(10,11)6-12/h8H,1,4-6H2,2-3H3
InChIKeyLFKZPOITBNPHCK-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-1,4-dimethylpiperidine
CID 23395561
3,3-difluoro-1,4-dimethylpiperidine;ethane
CID 143933716
3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
[2-[(4S)-3,3-difluoro-4-methylpiperidin-1-yl]-2-oxoethyl] (2S)-2-aminopropanoate
CID 129256140
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-3-yl)methanone
CID 129349585
[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-(furan-2-yl)methanone
CID 129349488
3-(3,3-difluoro-4-methylpiperidin-1-yl)propan-1-ol
CID 126787142
4-chloro-1-prop-1-en-2-ylpiperidine
CID 11367163
(4R)-3,3-difluoro-4-methyl-1-(oxan-4-yl)piperidine
CID 144948013
4-ethyl-1-prop-1-en-2-ylpiperidine
CID 142170735
(1-prop-1-en-2-ylpiperidin-4-yl)methanamine
CID 154040818
3-[(4R)-3,3-difluoro-4-methylpiperidin-1-yl]-N-methylpropanamide
CID 129349085

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine (CID 170642221) is 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(C)C(F)(F)C1.
What is the InChIKey of 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
The InChIKey is LFKZPOITBNPHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)12-5-4-8(3)9(10,11)6-12/h8H,1,4-6H2,2-3H3.
What are the key properties of 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine?
3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-methyl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 170642221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).