(E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene

C6H9Cl2F — CID 22447531

IUPAC(E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene
SMILESCC(C)/C=C/C(F)(Cl)Cl
InChIInChI=1S/C6H9Cl2F/c1-5(2)3-4-6(7,8)9/h3-5H,1-2H3/b4-3+
InChIKeyWEQBXUMEALDXPI-ONEGZZNKSA-N
MW171.04 g/mol
LogP3.30
Rot. Bonds2

About (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene

(E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene (PubChem CID 22447531) has the molecular formula C6H9Cl2F and a molecular weight of 171.04 g/mol. Its IUPAC name is (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene
PubChem CID22447531
Molecular FormulaC6H9Cl2F
Molecular Weight171.04 g/mol
Exact Mass170.01
IUPAC Name(E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene
SMILESCC(C)/C=C/C(F)(Cl)Cl
InChIInChI=1S/C6H9Cl2F/c1-5(2)3-4-6(7,8)9/h3-5H,1-2H3/b4-3+
InChIKeyWEQBXUMEALDXPI-ONEGZZNKSA-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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Related Compounds

1,1-Dichloro-1-fluoro-4-methylpent-2-ene
CID 54426735
(E)-4-chloro-2-fluoro-4-methylpent-2-ene
CID 156519220
(E)-1,1,1-trichloro-4-methylpent-2-ene
CID 20373439
3,3-Dichloro-6-methylcyclohexa-1,4-diene
CID 22475706
4,4-Dichloropent-2-ene
CID 54223929
1,1,1-Trichloro-4-methylpent-2-ene
CID 54541183
(4E)-3,3-dichlorohexa-1,4-diene
CID 57160396
(4E)-1,1-dichlorohexa-1,4-diene
CID 57312135
1,1-Dichlorohexa-1,4-diene
CID 76504782
(E)-4,4-dichloropent-2-ene
CID 88293692
(4E)-1,1-dichloro-3-methylhexa-1,4-diene
CID 88687619
5-Chloro-3-methylhexa-1,4-diene
CID 90793213

Frequently Asked Questions

What is the IUPAC name of (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene?
The IUPAC name of (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene (CID 22447531) is (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene.
What is the SMILES notation for (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene?
The canonical SMILES for (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene is CC(C)/C=C/C(F)(Cl)Cl.
What is the InChIKey of (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene?
The InChIKey is WEQBXUMEALDXPI-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H9Cl2F/c1-5(2)3-4-6(7,8)9/h3-5H,1-2H3/b4-3+.
What are the key properties of (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene?
(E)-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 (E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene is sourced from PubChem (CID 22447531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).