(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene

C9H10ClF3 — CID 143258494

IUPAC(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene
SMILESCC(=C/C=C/Cl)/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-7(4-3-5-10)6-8(2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4-,8-6+
InChIKeyHAPDMWQRAYSLND-DIDNWENSSA-N
MW210.63 g/mol
LogP4.19
Rot. Bonds2

About (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene

(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene (PubChem CID 143258494) has the molecular formula C9H10ClF3 and a molecular weight of 210.63 g/mol. Its IUPAC name is (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene
PubChem CID143258494
Molecular FormulaC9H10ClF3
Molecular Weight210.63 g/mol
Exact Mass210.04
IUPAC Name(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene
SMILESCC(=C/C=C/Cl)/C=C(\C)C(F)(F)F
InChIInChI=1S/C9H10ClF3/c1-7(4-3-5-10)6-8(2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4-,8-6+
InChIKeyHAPDMWQRAYSLND-DIDNWENSSA-N
XLogP4.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
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'}

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene?
The IUPAC name of (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene (CID 143258494) is (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene.
What is the SMILES notation for (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene?
The canonical SMILES for (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene is CC(=C/C=C/Cl)/C=C(\C)C(F)(F)F.
What is the InChIKey of (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene?
The InChIKey is HAPDMWQRAYSLND-DIDNWENSSA-N. The full InChI is InChI=1S/C9H10ClF3/c1-7(4-3-5-10)6-8(2)9(11,12)13/h3-6H,1-2H3/b5-3+,7-4-,8-6+.
What are the key properties of (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene?
(1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene has a molecular weight of 210.63 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z,5E)-1-chloro-7,7,7-trifluoro-4,6-dimethylhepta-1,3,5-triene is sourced from PubChem (CID 143258494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).