(4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene

C14H20ClF3 — CID 143588935

IUPAC(4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene
SMILESC=CC(C)(/C=C\C(C)(C)/C=C\C(C)Cl)C(F)(F)F
InChIInChI=1S/C14H20ClF3/c1-6-13(5,14(16,17)18)10-9-12(3,4)8-7-11(2)15/h6-11H,1H2,2-5H3/b8-7-,10-9-
InChIKeyQDXZEMFORUZPLA-QRLRYFCNSA-N
MW280.76 g/mol
LogP5.51
Rot. Bonds5

About (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene

(4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene (PubChem CID 143588935) has the molecular formula C14H20ClF3 and a molecular weight of 280.76 g/mol. Its IUPAC name is (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene.

Molecular Properties

Compound Name(4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene
PubChem CID143588935
Molecular FormulaC14H20ClF3
Molecular Weight280.76 g/mol
Exact Mass280.12
IUPAC Name(4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene
SMILESC=CC(C)(/C=C\C(C)(C)/C=C\C(C)Cl)C(F)(F)F
InChIInChI=1S/C14H20ClF3/c1-6-13(5,14(16,17)18)10-9-12(3,4)8-7-11(2)15/h6-11H,1H2,2-5H3/b8-7-,10-9-
InChIKeyQDXZEMFORUZPLA-QRLRYFCNSA-N
XLogP5.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.76
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene?
The IUPAC name of (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene (CID 143588935) is (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene.
What is the SMILES notation for (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene?
The canonical SMILES for (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene is C=CC(C)(/C=C\C(C)(C)/C=C\C(C)Cl)C(F)(F)F.
What is the InChIKey of (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene?
The InChIKey is QDXZEMFORUZPLA-QRLRYFCNSA-N. The full InChI is InChI=1S/C14H20ClF3/c1-6-13(5,14(16,17)18)10-9-12(3,4)8-7-11(2)15/h6-11H,1H2,2-5H3/b8-7-,10-9-.
What are the key properties of (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene?
(4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene has a molecular weight of 280.76 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,7Z)-9-chloro-3,6,6-trimethyl-3-(trifluoromethyl)deca-1,4,7-triene is sourced from PubChem (CID 143588935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).