1,3-dichloro-2-(chloromethyl)prop-1-ene

C4H5Cl3 — CID 25802

IUPAC1,3-dichloro-2-(chloromethyl)prop-1-ene
SMILESClC=C(CCl)CCl
InChIInChI=1S/C4H5Cl3/c5-1-4(2-6)3-7/h1H,2-3H2
InChIKeyHPBWGILCMWDPPJ-UHFFFAOYSA-N
MW159.44 g/mol
LogP2.59
Rot. Bonds2

About 1,3-dichloro-2-(chloromethyl)prop-1-ene

1,3-dichloro-2-(chloromethyl)prop-1-ene (PubChem CID 25802) has the molecular formula C4H5Cl3 and a molecular weight of 159.44 g/mol. Its IUPAC name is 1,3-dichloro-2-(chloromethyl)prop-1-ene.

Molecular Properties

Compound Name1,3-dichloro-2-(chloromethyl)prop-1-ene
PubChem CID25802
Molecular FormulaC4H5Cl3
Molecular Weight159.44 g/mol
Exact Mass157.95
IUPAC Name1,3-dichloro-2-(chloromethyl)prop-1-ene
SMILESClC=C(CCl)CCl
InChIInChI=1S/C4H5Cl3/c5-1-4(2-6)3-7/h1H,2-3H2
InChIKeyHPBWGILCMWDPPJ-UHFFFAOYSA-N
XLogP2.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.44
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-(chloromethyl)prop-1-ene?
The IUPAC name of 1,3-dichloro-2-(chloromethyl)prop-1-ene (CID 25802) is 1,3-dichloro-2-(chloromethyl)prop-1-ene.
What is the SMILES notation for 1,3-dichloro-2-(chloromethyl)prop-1-ene?
The canonical SMILES for 1,3-dichloro-2-(chloromethyl)prop-1-ene is ClC=C(CCl)CCl.
What is the InChIKey of 1,3-dichloro-2-(chloromethyl)prop-1-ene?
The InChIKey is HPBWGILCMWDPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5Cl3/c5-1-4(2-6)3-7/h1H,2-3H2.
What are the key properties of 1,3-dichloro-2-(chloromethyl)prop-1-ene?
1,3-dichloro-2-(chloromethyl)prop-1-ene has a molecular weight of 159.44 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-(chloromethyl)prop-1-ene is sourced from PubChem (CID 25802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).