3,4,5-trichloropent-2-ene

C5H7Cl3 — CID 151738517

IUPAC3,4,5-trichloropent-2-ene
SMILESCC=C(Cl)C(Cl)CCl
InChIInChI=1S/C5H7Cl3/c1-2-4(7)5(8)3-6/h2,5H,3H2,1H3
InChIKeyRMANFNUXCPOXIH-UHFFFAOYSA-N
MW173.47 g/mol
LogP2.98
Rot. Bonds2

About 3,4,5-trichloropent-2-ene

3,4,5-trichloropent-2-ene (PubChem CID 151738517) has the molecular formula C5H7Cl3 and a molecular weight of 173.47 g/mol. Its IUPAC name is 3,4,5-trichloropent-2-ene.

Molecular Properties

Compound Name3,4,5-trichloropent-2-ene
PubChem CID151738517
Molecular FormulaC5H7Cl3
Molecular Weight173.47 g/mol
Exact Mass171.96
IUPAC Name3,4,5-trichloropent-2-ene
SMILESCC=C(Cl)C(Cl)CCl
InChIInChI=1S/C5H7Cl3/c1-2-4(7)5(8)3-6/h2,5H,3H2,1H3
InChIKeyRMANFNUXCPOXIH-UHFFFAOYSA-N
XLogP2.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.47
LogP ≤ 52.98
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 3,4,5-trichloropent-2-ene?
The IUPAC name of 3,4,5-trichloropent-2-ene (CID 151738517) is 3,4,5-trichloropent-2-ene.
What is the SMILES notation for 3,4,5-trichloropent-2-ene?
The canonical SMILES for 3,4,5-trichloropent-2-ene is CC=C(Cl)C(Cl)CCl.
What is the InChIKey of 3,4,5-trichloropent-2-ene?
The InChIKey is RMANFNUXCPOXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl3/c1-2-4(7)5(8)3-6/h2,5H,3H2,1H3.
What are the key properties of 3,4,5-trichloropent-2-ene?
3,4,5-trichloropent-2-ene has a molecular weight of 173.47 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trichloropent-2-ene is sourced from PubChem (CID 151738517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).