[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone

C11H15F2NO — CID 129349370

IUPAC[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone
SMILESC=C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C11H15F2NO/c1-2-8-5-3-4-6-14(8)10(15)9-7-11(9,12)13/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKeyQERAOWDSTVCIRE-BDAKNGLRSA-N
MW215.24 g/mol
LogP2.21
Rot. Bonds2

About [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone

[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone (PubChem CID 129349370) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone
PubChem CID129349370
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone
SMILESC=C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(F)F
InChIInChI=1S/C11H15F2NO/c1-2-8-5-3-4-6-14(8)10(15)9-7-11(9,12)13/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKeyQERAOWDSTVCIRE-BDAKNGLRSA-N
XLogP2.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethenylpiperidin-1-yl)ethenol
CID 10630712
1-(2-ethenylazocan-1-yl)propan-1-one
CID 132518905
1-[(2R)-2-ethenylpyrrolidin-1-yl]prop-2-en-1-one
CID 45113887
1-[(2S)-2-ethenylpyrrolidin-1-yl]-2-methylprop-2-en-1-one
CID 102330307
4-(2-ethenylpiperidin-1-yl)-2,2-diethyl-4-oxobutanoic acid
CID 132970625
1-(cyclohexanecarbonyl)pyrrolidine-2-carbaldehyde
CID 146358075
1-[(2S)-2-ethenylpyrrolidin-1-yl]-3-methylbutan-1-one
CID 134571035
1-[(2S)-2-aminopiperidin-1-yl]prop-2-en-1-one
CID 138700109
2-ethenyl-1-(3-ethoxybuta-1,3-dien-2-yl)piperidine
CID 134380103
1-[2-(1-aminoethyl)piperidin-1-yl]but-3-en-1-one
CID 63254842
(2,2-dimethylcyclopropyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103915216
2-(2-ethenylpyrrolidin-1-yl)acetic acid
CID 67674478

Frequently Asked Questions

What is the IUPAC name of [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone?
The IUPAC name of [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone (CID 129349370) is [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone.
What is the SMILES notation for [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone?
The canonical SMILES for [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone is C=C[C@@H]1CCCCN1C(=O)[C@@H]1CC1(F)F.
What is the InChIKey of [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone?
The InChIKey is QERAOWDSTVCIRE-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-8-5-3-4-6-14(8)10(15)9-7-11(9,12)13/h2,8-9H,1,3-7H2/t8-,9+/m1/s1.
What are the key properties of [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone?
[(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone has a molecular weight of 215.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-2,2-difluorocyclopropyl]-[(2S)-2-ethenylpiperidin-1-yl]methanone is sourced from PubChem (CID 129349370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).