2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine

C12H19F2N — CID 170008157

IUPAC2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine
SMILES[H]/N=C1\CCCC1C/C(C)=C(\C)C(C)(F)F
InChIInChI=1S/C12H19F2N/c1-8(9(2)12(3,13)14)7-10-5-4-6-11(10)15/h10,15H,4-7H2,1-3H3/b9-8+,15-11+
InChIKeyCWIFKFRMOOVGHY-QCTDOKRBSA-N
MW215.29 g/mol
LogP4.19
Rot. Bonds3

About 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine

2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine (PubChem CID 170008157) has the molecular formula C12H19F2N and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine.

Molecular Properties

Compound Name2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine
PubChem CID170008157
Molecular FormulaC12H19F2N
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine
SMILES[H]/N=C1\CCCC1C/C(C)=C(\C)C(C)(F)F
InChIInChI=1S/C12H19F2N/c1-8(9(2)12(3,13)14)7-10-5-4-6-11(10)15/h10,15H,4-7H2,1-3H3/b9-8+,15-11+
InChIKeyCWIFKFRMOOVGHY-QCTDOKRBSA-N
XLogP4.19
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine 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 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine?
The IUPAC name of 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine (CID 170008157) is 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine.
What is the SMILES notation for 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine?
The canonical SMILES for 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine is [H]/N=C1\CCCC1C/C(C)=C(\C)C(C)(F)F.
What is the InChIKey of 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine?
The InChIKey is CWIFKFRMOOVGHY-QCTDOKRBSA-N. The full InChI is InChI=1S/C12H19F2N/c1-8(9(2)12(3,13)14)7-10-5-4-6-11(10)15/h10,15H,4-7H2,1-3H3/b9-8+,15-11+.
What are the key properties of 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine?
2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine has a molecular weight of 215.29 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4,4-difluoro-2,3-dimethylpent-2-enyl]cyclopentan-1-imine is sourced from PubChem (CID 170008157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).