1-chloropropane

C3H7Cl — CID 10899

IUPAC1-chloropropane
SMILESCCCCl
InChIInChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
InChIKeySNMVRZFUUCLYTO-UHFFFAOYSA-N
MW78.54 g/mol
LogP1.64
Rot. Bonds1

About 1-chloropropane

1-chloropropane (PubChem CID 10899) has the molecular formula C3H7Cl and a molecular weight of 78.54 g/mol. Its IUPAC name is 1-chloropropane.

Molecular Properties

Compound Name1-chloropropane
PubChem CID10899
Molecular FormulaC3H7Cl
Molecular Weight78.54 g/mol
Exact Mass78.02
IUPAC Name1-chloropropane
SMILESCCCCl
InChIInChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3
InChIKeySNMVRZFUUCLYTO-UHFFFAOYSA-N
XLogP1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.54
LogP ≤ 51.64
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-Dichloropropane
CID 6564
1,3-Dichloropropane
CID 8881
2-Chloropropane
CID 6361
1,1-Dichloropropane
CID 6573
2-Chlorobutane
CID 6563
1,2-Dichloro-Propane
CID 445768
(S)-1,2-dichloropropane
CID 17753912
2-Chloropropane-d7
CID 16217392
(R)-2-chlorobutane
CID 23616278
2-Chlorobutane, (+)-
CID 637146
1-Chloro-2-fluoropropane
CID 12545922
Propane-1,1,1,2,3,3-d6, 2,3-dichloro-
CID 12423103

Frequently Asked Questions

What is the IUPAC name of 1-chloropropane?
The IUPAC name of 1-chloropropane (CID 10899) is 1-chloropropane.
What is the SMILES notation for 1-chloropropane?
The canonical SMILES for 1-chloropropane is CCCCl.
What is the InChIKey of 1-chloropropane?
The InChIKey is SNMVRZFUUCLYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7Cl/c1-2-3-4/h2-3H2,1H3.
What are the key properties of 1-chloropropane?
1-chloropropane has a molecular weight of 78.54 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropropane is sourced from PubChem (CID 10899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).