(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene

C8H10ClF — CID 87152714

IUPAC(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
SMILESC/C=C\C(C)=C/C(Cl)=C/F
InChIInChI=1S/C8H10ClF/c1-3-4-7(2)5-8(9)6-10/h3-6H,1-2H3/b4-3-,7-5-,8-6-
InChIKeyPOAAMYHODMWURK-RWPVZYMPSA-N
MW160.62 g/mol
LogP3.56
Rot. Bonds2

About (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene

(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene (PubChem CID 87152714) has the molecular formula C8H10ClF and a molecular weight of 160.62 g/mol. Its IUPAC name is (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
PubChem CID87152714
Molecular FormulaC8H10ClF
Molecular Weight160.62 g/mol
Exact Mass160.05
IUPAC Name(1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene
SMILESC/C=C\C(C)=C/C(Cl)=C/F
InChIInChI=1S/C8H10ClF/c1-3-4-7(2)5-8(9)6-10/h3-6H,1-2H3/b4-3-,7-5-,8-6-
InChIKeyPOAAMYHODMWURK-RWPVZYMPSA-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 (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene?
The IUPAC name of (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene (CID 87152714) is (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene.
What is the SMILES notation for (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene?
The canonical SMILES for (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene is C/C=C\C(C)=C/C(Cl)=C/F.
What is the InChIKey of (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene?
The InChIKey is POAAMYHODMWURK-RWPVZYMPSA-N. The full InChI is InChI=1S/C8H10ClF/c1-3-4-7(2)5-8(9)6-10/h3-6H,1-2H3/b4-3-,7-5-,8-6-.
What are the key properties of (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene?
(1Z,3Z,5Z)-2-chloro-1-fluoro-4-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 (1Z,3Z,5Z)-2-chloro-1-fluoro-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 87152714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).