3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one

C10H13F2NO — CID 164645375

IUPAC3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H13F2NO/c11-10(12)3-5-13(6-4-10)8-1-2-9(14)7-8/h7H,1-6H2
InChIKeySNRMDUPOXFCAHL-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.96
Rot. Bonds1

About 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one

3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one (PubChem CID 164645375) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one
PubChem CID164645375
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCC(F)(F)CC2)CC1
InChIInChI=1S/C10H13F2NO/c11-10(12)3-5-13(6-4-10)8-1-2-9(14)7-8/h7H,1-6H2
InChIKeySNRMDUPOXFCAHL-UHFFFAOYSA-N
XLogP1.96
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,5,5-Tetrafluoro-3-piperidin-1-yl-2-(trifluoromethyl)cyclopent-2-en-1-one
CID 13196958
5,5,6,6,6-Pentafluoro-4-piperidin-1-ylhex-3-en-2-one
CID 91738774
3-(4-Methylpiperazin-1-yl)cyclopent-2-en-1-one
CID 11063014
3-(4,4-Difluoropiperidin-1-yl)cyclobut-2-en-1-one
CID 25057266
3-Methyl-4-(trifluoromethyl)-6,7,8,9-tetrahydroquinolizin-2-one
CID 59283974
(E)-5-piperidin-1-ylhex-4-en-3-one
CID 13378810
3-(4,4-Dimethylpiperazin-4-ium-1-yl)cyclopent-2-en-1-one
CID 10958232
3-[Methyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787736
3-[Ethyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787838
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787842
3-[Propyl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787843
3-[Propan-2-yl(2,2,2-trifluoroethyl)amino]cyclopent-2-en-1-one
CID 104787844

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one (CID 164645375) is 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one is O=C1C=C(N2CCC(F)(F)CC2)CC1.
What is the InChIKey of 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one?
The InChIKey is SNRMDUPOXFCAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-10(12)3-5-13(6-4-10)8-1-2-9(14)7-8/h7H,1-6H2.
What are the key properties of 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one?
3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one has a molecular weight of 201.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-difluoropiperidin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 164645375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).