(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene

C8H12ClF — CID 142966320

IUPAC(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
SMILESCC/C(F)=C(/Cl)C=C(C)C
InChIInChI=1S/C8H12ClF/c1-4-8(10)7(9)5-6(2)3/h5H,4H2,1-3H3/b8-7-
InChIKeyVEZLPJFUEOMOGH-FPLPWBNLSA-N
MW162.63 g/mol
LogP3.78
Rot. Bonds2

About (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene

(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene (PubChem CID 142966320) has the molecular formula C8H12ClF and a molecular weight of 162.63 g/mol. Its IUPAC name is (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene.

Molecular Properties

Compound Name(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
PubChem CID142966320
Molecular FormulaC8H12ClF
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene
SMILESCC/C(F)=C(/Cl)C=C(C)C
InChIInChI=1S/C8H12ClF/c1-4-8(10)7(9)5-6(2)3/h5H,4H2,1-3H3/b8-7-
InChIKeyVEZLPJFUEOMOGH-FPLPWBNLSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3,4-difluorohex-3-ene
CID 143535367
(2Z)-1,3-dichloro-2,5-dimethylhexa-2,4-diene
CID 102247621
(4Z,6Z)-4,7-dichloro-2-methylocta-2,4,6-triene
CID 23272827
(4E)-4-ethyl-2,5,7-trimethylocta-2,4,6-triene
CID 143323288
butan-2-one;4-methylpent-3-en-2-one
CID 87594966
(Z)-1,1,1,3-tetrafluoro-2-methylpent-2-ene
CID 130289840
(2E,4Z)-2,4-difluoro-5-methylhepta-2,4-diene
CID 144768900
1,5-dichloro-3-ethylhexa-1,2,4-triene
CID 123471321
(3E,5Z)-3-chloro-5-ethyl-4-methylhepta-1,3,5-triene
CID 144845951
(3E)-2-amino-4-chloro-6-methylhepta-3,5-diene-3-thiol
CID 130437655
(E)-3-fluoro-4-iodohex-3-ene
CID 12545933
(1E)-1-chloro-1-fluoro-4-methylpenta-1,3-diene
CID 87088644

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene?
The IUPAC name of (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene (CID 142966320) is (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene.
What is the SMILES notation for (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene?
The canonical SMILES for (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene is CC/C(F)=C(/Cl)C=C(C)C.
What is the InChIKey of (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene?
The InChIKey is VEZLPJFUEOMOGH-FPLPWBNLSA-N. The full InChI is InChI=1S/C8H12ClF/c1-4-8(10)7(9)5-6(2)3/h5H,4H2,1-3H3/b8-7-.
What are the key properties of (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene?
(4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene has a molecular weight of 162.63 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-chloro-5-fluoro-2-methylhepta-2,4-diene is sourced from PubChem (CID 142966320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).