2-chloropropane

C3H7Cl — CID 6361

IUPAC2-chloropropane
SMILESCC(C)Cl
InChIInChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
InChIKeyULYZAYCEDJDHCC-UHFFFAOYSA-N
MW78.54 g/mol
LogP1.63
Rot. Bonds

About 2-chloropropane

2-chloropropane (PubChem CID 6361) has the molecular formula C3H7Cl and a molecular weight of 78.54 g/mol. Its IUPAC name is 2-chloropropane.

Molecular Properties

Compound Name2-chloropropane
PubChem CID6361
Molecular FormulaC3H7Cl
Molecular Weight78.54 g/mol
Exact Mass78.02
IUPAC Name2-chloropropane
SMILESCC(C)Cl
InChIInChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3
InChIKeyULYZAYCEDJDHCC-UHFFFAOYSA-N
XLogP1.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.54
LogP ≤ 51.63
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 2-chloropropane?
The IUPAC name of 2-chloropropane (CID 6361) is 2-chloropropane.
What is the SMILES notation for 2-chloropropane?
The canonical SMILES for 2-chloropropane is CC(C)Cl.
What is the InChIKey of 2-chloropropane?
The InChIKey is ULYZAYCEDJDHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl/c1-3(2)4/h3H,1-2H3.
What are the key properties of 2-chloropropane?
2-chloropropane has a molecular weight of 78.54 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropropane is sourced from PubChem (CID 6361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).