3-chloro-2-(chloromethyl)prop-1-ene

C4H6Cl2 — CID 15859

IUPAC3-chloro-2-(chloromethyl)prop-1-ene
SMILESC=C(CCl)CCl
InChIInChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InChIKeyXJFZOSUFGSANIF-UHFFFAOYSA-N
MW125.00 g/mol
LogP2.02
Rot. Bonds2

About 3-chloro-2-(chloromethyl)prop-1-ene

3-chloro-2-(chloromethyl)prop-1-ene (PubChem CID 15859) has the molecular formula C4H6Cl2 and a molecular weight of 125.00 g/mol. Its IUPAC name is 3-chloro-2-(chloromethyl)prop-1-ene.

Molecular Properties

Compound Name3-chloro-2-(chloromethyl)prop-1-ene
PubChem CID15859
Molecular FormulaC4H6Cl2
Molecular Weight125.00 g/mol
Exact Mass123.98
IUPAC Name3-chloro-2-(chloromethyl)prop-1-ene
SMILESC=C(CCl)CCl
InChIInChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2
InChIKeyXJFZOSUFGSANIF-UHFFFAOYSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.00
LogP ≤ 52.02
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

3-Chloro-2-methyl-1-propene
CID 11241
1-Propene, 1-chloro-2-methyl-
CID 10555
1,3-Dichloro-2-methyl-1-propene
CID 642193
3,3-Dichloro-2-methyl-1-propene
CID 115272
Z-1,3-Dichloro-2-methyl-propene
CID 643913
1,3-Dichloro-2-chloromethylpropene
CID 25802
1,3-Dichloro-2-methylpropene
CID 18801
2-(Chloromethyl)-3-fluoroprop-1-ene
CID 14072053
1,3,3,3-Tetrachloro-2-methyl-1-propene
CID 57167289
2-Chloromethyl-3,3-dichloropropene
CID 43492
4-Chloro-3-methylbuta-1,2-diene
CID 12615574
Lithium 3-chloro-2-methylprop-1-ene
CID 85773205

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(chloromethyl)prop-1-ene?
The IUPAC name of 3-chloro-2-(chloromethyl)prop-1-ene (CID 15859) is 3-chloro-2-(chloromethyl)prop-1-ene.
What is the SMILES notation for 3-chloro-2-(chloromethyl)prop-1-ene?
The canonical SMILES for 3-chloro-2-(chloromethyl)prop-1-ene is C=C(CCl)CCl.
What is the InChIKey of 3-chloro-2-(chloromethyl)prop-1-ene?
The InChIKey is XJFZOSUFGSANIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl2/c1-4(2-5)3-6/h1-3H2.
What are the key properties of 3-chloro-2-(chloromethyl)prop-1-ene?
3-chloro-2-(chloromethyl)prop-1-ene has a molecular weight of 125.00 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(chloromethyl)prop-1-ene is sourced from PubChem (CID 15859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).