4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine

C11H19F2N — CID 166778613

IUPAC4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine
SMILESC=CC(F)(F)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H19F2N/c1-4-11(12,13)10-5-7-14(8-6-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyJEGHFQUTQDVXNL-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.93
Rot. Bonds3

About 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine

4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine (PubChem CID 166778613) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine
PubChem CID166778613
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine
SMILESC=CC(F)(F)C1CCN(C(C)C)CC1
InChIInChI=1S/C11H19F2N/c1-4-11(12,13)10-5-7-14(8-6-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3
InChIKeyJEGHFQUTQDVXNL-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.93
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

4-Ethenyl-1-ethyl-4-fluoropiperidine
CID 123282672
1-(2,2-Difluorobut-3-enyl)-4-methyl-4-propan-2-ylpiperidine
CID 126629502
4-Ethenyl-1-(2-fluoroethyl)piperidine
CID 130723823
1-But-3-enyl-3,3-difluoro-4-methylpiperidine
CID 130733356
1-(2,2-Difluoroethyl)-4-ethenylpiperidine
CID 131129043
1-(1,1,2,3,3-Pentafluoropent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 134384149
1-(1,1,2,3,3-Pentafluoropent-4-enyl)-4-(trifluoromethyl)piperidine
CID 134384154
1-(1,2-Difluoro-2-methylbut-3-enyl)-3,5-dimethylpiperidine
CID 134531061
3,5-Dimethyl-1-(1,2,2-trifluorobut-3-enyl)piperidine
CID 134531078
N,3-dimethyl-N-(3,3,3-trifluoropropyl)hex-5-en-1-amine
CID 144403393
1-(2,3-Difluorobut-3-en-2-yl)-4-(trifluoromethyl)piperidine
CID 146426189
4-Ethenyl-4-fluoro-1-methylpiperidine
CID 154558777

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine?
The IUPAC name of 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine (CID 166778613) is 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine?
The canonical SMILES for 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine is C=CC(F)(F)C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine?
The InChIKey is JEGHFQUTQDVXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-4-11(12,13)10-5-7-14(8-6-10)9(2)3/h4,9-10H,1,5-8H2,2-3H3.
What are the key properties of 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine?
4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine has a molecular weight of 203.28 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroprop-2-enyl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 166778613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).