1,2,3-trichloropropane

C3H5Cl3 — CID 7285

IUPAC1,2,3-trichloropropane
SMILESClCC(Cl)CCl
InChIInChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyCFXQEHVMCRXUSD-UHFFFAOYSA-N
MW147.43 g/mol
LogP2.07
Rot. Bonds2

About 1,2,3-trichloropropane

1,2,3-trichloropropane (PubChem CID 7285) has the molecular formula C3H5Cl3 and a molecular weight of 147.43 g/mol. Its IUPAC name is 1,2,3-trichloropropane.

Molecular Properties

Compound Name1,2,3-trichloropropane
PubChem CID7285
Molecular FormulaC3H5Cl3
Molecular Weight147.43 g/mol
Exact Mass145.95
IUPAC Name1,2,3-trichloropropane
SMILESClCC(Cl)CCl
InChIInChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2
InChIKeyCFXQEHVMCRXUSD-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.43
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-Dichloroethane
CID 11
1,2-Dichloropropane
CID 6564
1,3-Dichloropropane
CID 8881
1,1,2-Trichloropropane
CID 11733
1,2,2-Trichloropropane
CID 18505
1,2,2,3-Tetrachloropropane
CID 25717
Propane, 1,1,2,3-tetrachloro-
CID 29108
1,2-Dichloro-Propane
CID 445768
Ethane-1,1,2,2-d4, 1,2-dichloro-
CID 12197860
(S)-1,2-dichloropropane
CID 17753912
Propane, 1,1,3-trichloro-
CID 33157
1,2,4-Trichlorobutane
CID 15707

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trichloropropane?
The IUPAC name of 1,2,3-trichloropropane (CID 7285) is 1,2,3-trichloropropane.
What is the SMILES notation for 1,2,3-trichloropropane?
The canonical SMILES for 1,2,3-trichloropropane is ClCC(Cl)CCl.
What is the InChIKey of 1,2,3-trichloropropane?
The InChIKey is CFXQEHVMCRXUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl3/c4-1-3(6)2-5/h3H,1-2H2.
What are the key properties of 1,2,3-trichloropropane?
1,2,3-trichloropropane has a molecular weight of 147.43 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trichloropropane is sourced from PubChem (CID 7285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).