4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine

C10H16F3N — CID 155742148

IUPAC4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13/h9H,1,3-7H2,2H3
InChIKeyWHSNQELNKSVFOX-UHFFFAOYSA-N
MW207.24 g/mol
LogP2.84
Rot. Bonds2

About 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine

4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine (PubChem CID 155742148) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine
PubChem CID155742148
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine
SMILESC=C(C)C1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H16F3N/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13/h9H,1,3-7H2,2H3
InChIKeyWHSNQELNKSVFOX-UHFFFAOYSA-N
XLogP2.84
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.84
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-Methyl-4-methylidenepiperidine;1,1,1-trifluoroethane
CID 54257027
4-Methylidene-1-(2,2,2-trifluoroethyl)piperidine
CID 58902685
1-(2,2-Difluoroethyl)-4-methylidenepiperidine
CID 58902726
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-Ethyl-4-(1-fluoroethenyl)piperidine
CID 91012854
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]-3,5-bis(trifluoromethyl)piperidine
CID 124118178
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)piperidine
CID 124118195
3,5-Bis(trifluoromethyl)-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 124118197
4-Ethenyl-1-(2-fluoroethyl)piperidine
CID 130723823
1-(2,2-Difluoroethyl)-4-ethenylpiperidine
CID 131129043
4-[(Z)-2-fluoroprop-1-enyl]-1-methylpiperidine
CID 131972841

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The IUPAC name of 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine (CID 155742148) is 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine.
What is the SMILES notation for 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The canonical SMILES for 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine is C=C(C)C1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
The InChIKey is WHSNQELNKSVFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(2)9-3-5-14(6-4-9)7-10(11,12)13/h9H,1,3-7H2,2H3.
What are the key properties of 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine?
4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine has a molecular weight of 207.24 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1-(2,2,2-trifluoroethyl)piperidine is sourced from PubChem (CID 155742148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).