(E)-4-chloro-2-fluoro-4-methylpent-2-ene

C6H10ClF — CID 156519220

IUPAC(E)-4-chloro-2-fluoro-4-methylpent-2-ene
SMILESC/C(F)=C\C(C)(C)Cl
InChIInChI=1S/C6H10ClF/c1-5(8)4-6(2,3)7/h4H,1-3H3/b5-4+
InChIKeyDCUIHUILWCMOID-SNAWJCMRSA-N
MW136.60 g/mol
LogP2.88
Rot. Bonds1

About (E)-4-chloro-2-fluoro-4-methylpent-2-ene

(E)-4-chloro-2-fluoro-4-methylpent-2-ene (PubChem CID 156519220) has the molecular formula C6H10ClF and a molecular weight of 136.60 g/mol. Its IUPAC name is (E)-4-chloro-2-fluoro-4-methylpent-2-ene.

Molecular Properties

Compound Name(E)-4-chloro-2-fluoro-4-methylpent-2-ene
PubChem CID156519220
Molecular FormulaC6H10ClF
Molecular Weight136.60 g/mol
Exact Mass136.05
IUPAC Name(E)-4-chloro-2-fluoro-4-methylpent-2-ene
SMILESC/C(F)=C\C(C)(C)Cl
InChIInChI=1S/C6H10ClF/c1-5(8)4-6(2,3)7/h4H,1-3H3/b5-4+
InChIKeyDCUIHUILWCMOID-SNAWJCMRSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.60
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (E)-4-chloro-2-fluoro-4-methylpent-2-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Chloro-2-pentene
CID 5463222
(E)-2-chloro-pent-2-ene
CID 5463223
Chloro-methyl butene
CID 142578
(E)-4-chloro-4-methylpent-2-ene
CID 12616857
(Z)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 14360367
(E)-2-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 14360368
(E)-1,1-dichloro-1-fluoro-4-methylpent-2-ene
CID 22447531
(Z)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 23384885
1,1-Dichloro-1-fluoro-4-methylpent-2-ene
CID 54426735
(4Z)-3-chloro-4-fluorohexa-1,4-diene
CID 56996116
(E)-3-chloro-1,1,1-trifluoro-4-methylpent-2-ene
CID 59911449
5-Chloro-6-fluorohexa-1,4-diene
CID 87276545

Frequently Asked Questions

What is the IUPAC name of (E)-4-chloro-2-fluoro-4-methylpent-2-ene?
The IUPAC name of (E)-4-chloro-2-fluoro-4-methylpent-2-ene (CID 156519220) is (E)-4-chloro-2-fluoro-4-methylpent-2-ene.
What is the SMILES notation for (E)-4-chloro-2-fluoro-4-methylpent-2-ene?
The canonical SMILES for (E)-4-chloro-2-fluoro-4-methylpent-2-ene is C/C(F)=C\C(C)(C)Cl.
What is the InChIKey of (E)-4-chloro-2-fluoro-4-methylpent-2-ene?
The InChIKey is DCUIHUILWCMOID-SNAWJCMRSA-N. The full InChI is InChI=1S/C6H10ClF/c1-5(8)4-6(2,3)7/h4H,1-3H3/b5-4+.
What are the key properties of (E)-4-chloro-2-fluoro-4-methylpent-2-ene?
(E)-4-chloro-2-fluoro-4-methylpent-2-ene has a molecular weight of 136.60 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-chloro-2-fluoro-4-methylpent-2-ene is sourced from PubChem (CID 156519220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).