1,1-dichloro-1-fluoro-4-methylpent-2-ene

C6H9Cl2F — CID 54426735

IUPAC1,1-dichloro-1-fluoro-4-methylpent-2-ene
SMILESCC(C)C=CC(F)(Cl)Cl
InChIInChI=1S/C6H9Cl2F/c1-5(2)3-4-6(7,8)9/h3-5H,1-2H3
InChIKeyWEQBXUMEALDXPI-UHFFFAOYSA-N
MW171.04 g/mol
LogP3.30
Rot. Bonds2

About 1,1-dichloro-1-fluoro-4-methylpent-2-ene

1,1-dichloro-1-fluoro-4-methylpent-2-ene (PubChem CID 54426735) has the molecular formula C6H9Cl2F and a molecular weight of 171.04 g/mol. Its IUPAC name is 1,1-dichloro-1-fluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name1,1-dichloro-1-fluoro-4-methylpent-2-ene
PubChem CID54426735
Molecular FormulaC6H9Cl2F
Molecular Weight171.04 g/mol
Exact Mass170.01
IUPAC Name1,1-dichloro-1-fluoro-4-methylpent-2-ene
SMILESCC(C)C=CC(F)(Cl)Cl
InChIInChI=1S/C6H9Cl2F/c1-5(2)3-4-6(7,8)9/h3-5H,1-2H3
InChIKeyWEQBXUMEALDXPI-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.04
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1-fluoro-4-methylpent-2-ene?
The IUPAC name of 1,1-dichloro-1-fluoro-4-methylpent-2-ene (CID 54426735) is 1,1-dichloro-1-fluoro-4-methylpent-2-ene.
What is the SMILES notation for 1,1-dichloro-1-fluoro-4-methylpent-2-ene?
The canonical SMILES for 1,1-dichloro-1-fluoro-4-methylpent-2-ene is CC(C)C=CC(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1-fluoro-4-methylpent-2-ene?
The InChIKey is WEQBXUMEALDXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9Cl2F/c1-5(2)3-4-6(7,8)9/h3-5H,1-2H3.
What are the key properties of 1,1-dichloro-1-fluoro-4-methylpent-2-ene?
1,1-dichloro-1-fluoro-4-methylpent-2-ene has a molecular weight of 171.04 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-fluoro-4-methylpent-2-ene is sourced from PubChem (CID 54426735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).