(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine

C13H21F2N — CID 154673355

IUPAC(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine
SMILESC=C/C(=C1\N(C)CCCC1(F)F)C(C)(C)C
InChIInChI=1S/C13H21F2N/c1-6-10(12(2,3)4)11-13(14,15)8-7-9-16(11)5/h6H,1,7-9H2,2-5H3/b11-10+
InChIKeyXCPWYWWVRZKLKT-ZHACJKMWSA-N
MW229.31 g/mol
LogP3.83
Rot. Bonds1

About (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine

(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine (PubChem CID 154673355) has the molecular formula C13H21F2N and a molecular weight of 229.31 g/mol. Its IUPAC name is (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine.

Molecular Properties

Compound Name(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine
PubChem CID154673355
Molecular FormulaC13H21F2N
Molecular Weight229.31 g/mol
Exact Mass229.16
IUPAC Name(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine
SMILESC=C/C(=C1\N(C)CCCC1(F)F)C(C)(C)C
InChIInChI=1S/C13H21F2N/c1-6-10(12(2,3)4)11-13(14,15)8-7-9-16(11)5/h6H,1,7-9H2,2-5H3/b11-10+
InChIKeyXCPWYWWVRZKLKT-ZHACJKMWSA-N
XLogP3.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine?
The IUPAC name of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine (CID 154673355) is (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine.
What is the SMILES notation for (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine?
The canonical SMILES for (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine is C=C/C(=C1\N(C)CCCC1(F)F)C(C)(C)C.
What is the InChIKey of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine?
The InChIKey is XCPWYWWVRZKLKT-ZHACJKMWSA-N. The full InChI is InChI=1S/C13H21F2N/c1-6-10(12(2,3)4)11-13(14,15)8-7-9-16(11)5/h6H,1,7-9H2,2-5H3/b11-10+.
What are the key properties of (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine?
(2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine has a molecular weight of 229.31 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(4,4-dimethylpent-1-en-3-ylidene)-3,3-difluoro-1-methylpiperidine is sourced from PubChem (CID 154673355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).