(5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine

C13H22FN — CID 178058501

IUPAC(5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine
SMILESC/C=C(F)\C=C/C(CC(C)(C)N)=C(C)C
InChIInChI=1S/C13H22FN/c1-6-12(14)8-7-11(10(2)3)9-13(4,5)15/h6-8H,9,15H2,1-5H3/b8-7-,12-6+
InChIKeyXINODYVKFMYEIC-HRZQEMGZSA-N
MW211.32 g/mol
LogP3.88
Rot. Bonds4

About (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine

(5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine (PubChem CID 178058501) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine
PubChem CID178058501
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name(5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine
SMILESC/C=C(F)\C=C/C(CC(C)(C)N)=C(C)C
InChIInChI=1S/C13H22FN/c1-6-12(14)8-7-11(10(2)3)9-13(4,5)15/h6-8H,9,15H2,1-5H3/b8-7-,12-6+
InChIKeyXINODYVKFMYEIC-HRZQEMGZSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-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 (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine?
The IUPAC name of (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine (CID 178058501) is (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine.
What is the SMILES notation for (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine?
The canonical SMILES for (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine is C/C=C(F)\C=C/C(CC(C)(C)N)=C(C)C.
What is the InChIKey of (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine?
The InChIKey is XINODYVKFMYEIC-HRZQEMGZSA-N. The full InChI is InChI=1S/C13H22FN/c1-6-12(14)8-7-11(10(2)3)9-13(4,5)15/h6-8H,9,15H2,1-5H3/b8-7-,12-6+.
What are the key properties of (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine?
(5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine has a molecular weight of 211.32 g/mol, XLogP of 3.88, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7E)-7-fluoro-2-methyl-4-propan-2-ylidenenona-5,7-dien-2-amine is sourced from PubChem (CID 178058501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).