(3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene

C9H10ClF3 — CID 145280045

IUPAC(3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene
SMILESC=C/C=C(/CCC(F)(F)F)C(=C)Cl
InChIInChI=1S/C9H10ClF3/c1-3-4-8(7(2)10)5-6-9(11,12)13/h3-4H,1-2,5-6H2/b8-4-
InChIKeyDMXGDKZUKGSXAV-YWEYNIOJSA-N
MW210.63 g/mol
LogP4.19
Rot. Bonds4

About (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene

(3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene (PubChem CID 145280045) has the molecular formula C9H10ClF3 and a molecular weight of 210.63 g/mol. Its IUPAC name is (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene.

Molecular Properties

Compound Name(3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene
PubChem CID145280045
Molecular FormulaC9H10ClF3
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name(3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene
SMILESC=C/C=C(/CCC(F)(F)F)C(=C)Cl
InChIInChI=1S/C9H10ClF3/c1-3-4-8(7(2)10)5-6-9(11,12)13/h3-4H,1-2,5-6H2/b8-4-
InChIKeyDMXGDKZUKGSXAV-YWEYNIOJSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.63
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene 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 (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene?
The IUPAC name of (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene (CID 145280045) is (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene.
What is the SMILES notation for (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene?
The canonical SMILES for (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene is C=C/C=C(/CCC(F)(F)F)C(=C)Cl.
What is the InChIKey of (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene?
The InChIKey is DMXGDKZUKGSXAV-YWEYNIOJSA-N. The full InChI is InChI=1S/C9H10ClF3/c1-3-4-8(7(2)10)5-6-9(11,12)13/h3-4H,1-2,5-6H2/b8-4-.
What are the key properties of (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene?
(3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene has a molecular weight of 210.63 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(1-chloroethenyl)-7,7,7-trifluorohepta-1,3-diene is sourced from PubChem (CID 145280045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).