ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone

C11H20FNO — CID 177059582

IUPACethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone
SMILESC=C.CC(=O)[C@@]1(F)CNCC(C)(C)C1
InChIInChI=1S/C9H16FNO.C2H4/c1-7(12)9(10)4-8(2,3)5-11-6-9;1-2/h11H,4-6H2,1-3H3;1-2H2/t9-;/m0./s1
InChIKeyNXTOWTACRNPZOS-FVGYRXGTSA-N
MW201.28 g/mol
LogP2.11
Rot. Bonds1

About ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone

ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone (PubChem CID 177059582) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone.

Molecular Properties

Compound Nameethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone
PubChem CID177059582
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Nameethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone
SMILESC=C.CC(=O)[C@@]1(F)CNCC(C)(C)C1
InChIInChI=1S/C9H16FNO.C2H4/c1-7(12)9(10)4-8(2,3)5-11-6-9;1-2/h11H,4-6H2,1-3H3;1-2H2/t9-;/m0./s1
InChIKeyNXTOWTACRNPZOS-FVGYRXGTSA-N
XLogP2.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-Fluoropropyl)piperidin-4-yl]ethanone
CID 145418526
2-Methyl-1-[3-(trifluoromethyl)piperidin-3-yl]propan-1-one
CID 146551445
1-[3-(2,2-Difluoroethyl)piperidin-3-yl]-2-methylpropan-1-one
CID 146551836
1-[(3S)-3-fluoropiperidin-3-yl]ethanone
CID 167202944
1-[(3R)-3-fluoropiperidin-3-yl]ethanone
CID 167202966
1-[(3S,4E)-4-(fluoromethylidene)-3-methylpiperidin-3-yl]ethanone
CID 176883295
1-[(3R)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone
CID 177059527
1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone
CID 177059583
1-(3-Ethylpiperidin-3-yl)-5,5,5-trifluoropentan-1-one
CID 116568647
1-(3-Ethylpiperidin-3-yl)-4,4,4-trifluorobutan-1-one
CID 116568698
5,5,5-Trifluoro-1-(3-methylpiperidin-3-yl)pentan-1-one
CID 116569494
4,4,4-Trifluoro-1-(3-methylpiperidin-3-yl)butan-1-one
CID 116569546

Frequently Asked Questions

What is the IUPAC name of ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone?
The IUPAC name of ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone (CID 177059582) is ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone.
What is the SMILES notation for ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone?
The canonical SMILES for ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone is C=C.CC(=O)[C@@]1(F)CNCC(C)(C)C1.
What is the InChIKey of ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone?
The InChIKey is NXTOWTACRNPZOS-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H16FNO.C2H4/c1-7(12)9(10)4-8(2,3)5-11-6-9;1-2/h11H,4-6H2,1-3H3;1-2H2/t9-;/m0./s1.
What are the key properties of ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone?
ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone has a molecular weight of 201.28 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-[(3S)-3-fluoro-5,5-dimethylpiperidin-3-yl]ethanone is sourced from PubChem (CID 177059582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).