2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine

C9H15F2N — CID 155037749

IUPAC2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(C)C(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-7(2)8-4-5-12(3)9(10,11)6-8/h8H,1,4-6H2,2-3H3
InChIKeyLYDGKYJOXXUOPB-UHFFFAOYSA-N
MW175.22 g/mol
LogP2.50
Rot. Bonds1

About 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine

2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine (PubChem CID 155037749) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine
PubChem CID155037749
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1CCN(C)C(F)(F)C1
InChIInChI=1S/C9H15F2N/c1-7(2)8-4-5-12(3)9(10,11)6-8/h8H,1,4-6H2,2-3H3
InChIKeyLYDGKYJOXXUOPB-UHFFFAOYSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]-4-(trifluoromethyl)piperidine
CID 129207800
1-(2,2-Difluoroethyl)-4-ethenylpiperidine
CID 131129043
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine (CID 155037749) is 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine is C=C(C)C1CCN(C)C(F)(F)C1.
What is the InChIKey of 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
The InChIKey is LYDGKYJOXXUOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N/c1-7(2)8-4-5-12(3)9(10,11)6-8/h8H,1,4-6H2,2-3H3.
What are the key properties of 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine?
2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine has a molecular weight of 175.22 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methyl-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 155037749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).