(2Z)-2-ethylidene-3,4-difluorohexan-1-amine

C8H15F2N — CID 166651478

IUPAC(2Z)-2-ethylidene-3,4-difluorohexan-1-amine
SMILESC/C=C(/CN)C(F)C(F)CC
InChIInChI=1S/C8H15F2N/c1-3-6(5-11)8(10)7(9)4-2/h3,7-8H,4-5,11H2,1-2H3/b6-3-
InChIKeyOGTMCKGDDOXMOL-UTCJRWHESA-N
MW163.21 g/mol
LogP1.98
Rot. Bonds4

About (2Z)-2-ethylidene-3,4-difluorohexan-1-amine

(2Z)-2-ethylidene-3,4-difluorohexan-1-amine (PubChem CID 166651478) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3,4-difluorohexan-1-amine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3,4-difluorohexan-1-amine
PubChem CID166651478
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(2Z)-2-ethylidene-3,4-difluorohexan-1-amine
SMILESC/C=C(/CN)C(F)C(F)CC
InChIInChI=1S/C8H15F2N/c1-3-6(5-11)8(10)7(9)4-2/h3,7-8H,4-5,11H2,1-2H3/b6-3-
InChIKeyOGTMCKGDDOXMOL-UTCJRWHESA-N
XLogP1.98
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z)-2-ethylidene-3,4-difluorohexan-1-amine 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 (2Z)-2-ethylidene-3,4-difluorohexan-1-amine?
The IUPAC name of (2Z)-2-ethylidene-3,4-difluorohexan-1-amine (CID 166651478) is (2Z)-2-ethylidene-3,4-difluorohexan-1-amine.
What is the SMILES notation for (2Z)-2-ethylidene-3,4-difluorohexan-1-amine?
The canonical SMILES for (2Z)-2-ethylidene-3,4-difluorohexan-1-amine is C/C=C(/CN)C(F)C(F)CC.
What is the InChIKey of (2Z)-2-ethylidene-3,4-difluorohexan-1-amine?
The InChIKey is OGTMCKGDDOXMOL-UTCJRWHESA-N. The full InChI is InChI=1S/C8H15F2N/c1-3-6(5-11)8(10)7(9)4-2/h3,7-8H,4-5,11H2,1-2H3/b6-3-.
What are the key properties of (2Z)-2-ethylidene-3,4-difluorohexan-1-amine?
(2Z)-2-ethylidene-3,4-difluorohexan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3,4-difluorohexan-1-amine is sourced from PubChem (CID 166651478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).