(Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene

C21H39F — CID 134316433

IUPAC(Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene
SMILESCCCC[C@@H](C)C(/C=C\CC(C)C(C)CF)=C/C(C)(C)CC
InChIInChI=1S/C21H39F/c1-8-10-12-18(4)20(15-21(6,7)9-2)14-11-13-17(3)19(5)16-22/h11,14-15,17-19H,8-10,12-13,16H2,1-7H3/b14-11-,20-15+/t17?,18-,19?/m1/s1
InChIKeyONSMZRGINWMJKL-OBEDBQITSA-N
MW310.54 g/mol
LogP7.36
Rot. Bonds11

About (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene

(Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene (PubChem CID 134316433) has the molecular formula C21H39F and a molecular weight of 310.54 g/mol. Its IUPAC name is (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene.

Molecular Properties

Compound Name(Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene
PubChem CID134316433
Molecular FormulaC21H39F
Molecular Weight310.54 g/mol
Exact Mass310.30
IUPAC Name(Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene
SMILESCCCC[C@@H](C)C(/C=C\CC(C)C(C)CF)=C/C(C)(C)CC
InChIInChI=1S/C21H39F/c1-8-10-12-18(4)20(15-21(6,7)9-2)14-11-13-17(3)19(5)16-22/h11,14-15,17-19H,8-10,12-13,16H2,1-7H3/b14-11-,20-15+/t17?,18-,19?/m1/s1
InChIKeyONSMZRGINWMJKL-OBEDBQITSA-N
XLogP7.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.54
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene 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 (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene?
The IUPAC name of (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene (CID 134316433) is (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene.
What is the SMILES notation for (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene?
The canonical SMILES for (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene is CCCC[C@@H](C)C(/C=C\CC(C)C(C)CF)=C/C(C)(C)CC.
What is the InChIKey of (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene?
The InChIKey is ONSMZRGINWMJKL-OBEDBQITSA-N. The full InChI is InChI=1S/C21H39F/c1-8-10-12-18(4)20(15-21(6,7)9-2)14-11-13-17(3)19(5)16-22/h11,14-15,17-19H,8-10,12-13,16H2,1-7H3/b14-11-,20-15+/t17?,18-,19?/m1/s1.
What are the key properties of (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene?
(Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene has a molecular weight of 310.54 g/mol, XLogP of 7.36, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7Z,8R)-7-(2,2-dimethylbutylidene)-1-fluoro-2,3,8-trimethyldodec-5-ene is sourced from PubChem (CID 134316433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).