(3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene

C8H10ClF — CID 166850482

IUPAC(3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene
SMILESC=C/C(F)=C(Cl)\C(C)=C/C
InChIInChI=1S/C8H10ClF/c1-4-6(3)8(9)7(10)5-2/h4-5H,2H2,1,3H3/b6-4-,8-7-
InChIKeyRFDBOIRRTMPCEA-MOIRPGTBSA-N
MW160.62 g/mol
LogP3.56
Rot. Bonds2

About (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene

(3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene (PubChem CID 166850482) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene
PubChem CID166850482
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name(3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene
SMILESC=C/C(F)=C(Cl)\C(C)=C/C
InChIInChI=1S/C8H10ClF/c1-4-6(3)8(9)7(10)5-2/h4-5H,2H2,1,3H3/b6-4-,8-7-
InChIKeyRFDBOIRRTMPCEA-MOIRPGTBSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.62
LogP ≤ 53.56
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 (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene (CID 166850482) is (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene is C=C/C(F)=C(Cl)\C(C)=C/C.
What is the InChIKey of (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene?
The InChIKey is RFDBOIRRTMPCEA-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H10ClF/c1-4-6(3)8(9)7(10)5-2/h4-5H,2H2,1,3H3/b6-4-,8-7-.
What are the key properties of (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene?
(3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene has a molecular weight of 160.62 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-4-chloro-3-fluoro-5-methylhepta-1,3,5-triene is sourced from PubChem (CID 166850482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).