1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone

C10H14F3NO — CID 126758452

IUPAC1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone
SMILESC=C(C1CCN(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(10(11,12)13)9-3-5-14(6-4-9)8(2)15/h9H,1,3-6H2,2H3
InChIKeyZUOSKMRXBZOOKQ-UHFFFAOYSA-N
MW221.22 g/mol
LogP2.36
Rot. Bonds1

About 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone

1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone (PubChem CID 126758452) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone
PubChem CID126758452
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone
SMILESC=C(C1CCN(C(C)=O)CC1)C(F)(F)F
InChIInChI=1S/C10H14F3NO/c1-7(10(11,12)13)9-3-5-14(6-4-9)8(2)15/h9H,1,3-6H2,2H3
InChIKeyZUOSKMRXBZOOKQ-UHFFFAOYSA-N
XLogP2.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 52.36
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

2-(1-acetylpiperidin-4-yl)prop-2-enal
CID 45119214
ethane;1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 143567977
3,3,3-trifluoroprop-1-en-2-ylcyclobutane
CID 143993602
1-acetylpiperidine-4-carboxylic acid;ethane
CID 144882491
N-(1-acetylpiperidin-4-yl)-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110715002
1-acetyl-N-(2,2-difluoro-3-hydroxypropyl)piperidine-4-carboxamide
CID 104857306
[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]methanimine
CID 145286988
1-acetyl-N-hydroxypiperidine-4-carboxamide
CID 126992136
1-acetyl-N-tert-butylpiperidine-4-carboxamide
CID 17148671
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502
1-(2,2,2-trifluoroacetyl)piperidine-4-carboxylic acid
CID 4552138
4-(2,2,2-trifluoroacetyl)piperidine-1-carboxylic acid
CID 91321948

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone (CID 126758452) is 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone is C=C(C1CCN(C(C)=O)CC1)C(F)(F)F.
What is the InChIKey of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone?
The InChIKey is ZUOSKMRXBZOOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO/c1-7(10(11,12)13)9-3-5-14(6-4-9)8(2)15/h9H,1,3-6H2,2H3.
What are the key properties of 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone?
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone has a molecular weight of 221.22 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3,3,3-trifluoroprop-1-en-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 126758452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).