(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene

C6H8ClF — CID 55298607

IUPAC(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene
SMILESC=C/C(C)=C(/F)CCl
InChIInChI=1S/C6H8ClF/c1-3-5(2)6(8)4-7/h3H,1,4H2,2H3/b6-5+
InChIKeyPYEPGRLILOVVIK-AATRIKPKSA-N
MW134.58 g/mol
LogP2.65
Rot. Bonds2

About (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene

(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene (PubChem CID 55298607) has the molecular formula C6H8ClF and a molecular weight of 134.58 g/mol. Its IUPAC name is (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene.

Molecular Properties

Compound Name(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene
PubChem CID55298607
Molecular FormulaC6H8ClF
Molecular Weight134.58 g/mol
Exact Mass134.03
IUPAC Name(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene
SMILESC=C/C(C)=C(/F)CCl
InChIInChI=1S/C6H8ClF/c1-3-5(2)6(8)4-7/h3H,1,4H2,2H3/b6-5+
InChIKeyPYEPGRLILOVVIK-AATRIKPKSA-N
XLogP2.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.58
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene?
The IUPAC name of (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene (CID 55298607) is (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene.
What is the SMILES notation for (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene?
The canonical SMILES for (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene is C=C/C(C)=C(/F)CCl.
What is the InChIKey of (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene?
The InChIKey is PYEPGRLILOVVIK-AATRIKPKSA-N. The full InChI is InChI=1S/C6H8ClF/c1-3-5(2)6(8)4-7/h3H,1,4H2,2H3/b6-5+.
What are the key properties of (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene?
(3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene has a molecular weight of 134.58 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-chloro-4-fluoro-3-methylpenta-1,3-diene is sourced from PubChem (CID 55298607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).