1,3-dichloropropane

C3H6Cl2 — CID 8881

IUPAC1,3-dichloropropane
SMILESClCCCCl
InChIInChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKeyYHRUOJUYPBUZOS-UHFFFAOYSA-N
MW112.99 g/mol
LogP1.85
Rot. Bonds2

About 1,3-dichloropropane

1,3-dichloropropane (PubChem CID 8881) has the molecular formula C3H6Cl2 and a molecular weight of 112.99 g/mol. Its IUPAC name is 1,3-dichloropropane.

Molecular Properties

Compound Name1,3-dichloropropane
PubChem CID8881
Molecular FormulaC3H6Cl2
Molecular Weight112.99 g/mol
Exact Mass111.98
IUPAC Name1,3-dichloropropane
SMILESClCCCCl
InChIInChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
InChIKeyYHRUOJUYPBUZOS-UHFFFAOYSA-N
XLogP1.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.99
LogP ≤ 51.85
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

1,2,3-Trichloropropane
CID 7285
1,2-Dichloropropane
CID 6564
1,1-Dichloropropane
CID 6573
1-Chloropropane
CID 10899
1,1,1,3-Tetrachloropropane
CID 14056
1,2-Dichloro-Propane
CID 445768
(S)-1,2-dichloropropane
CID 17753912
Propane, 1,1,3-trichloro-
CID 33157
1,1,3,3-Tetrachloropropane
CID 10954145
1,3-Dichloro-2-fluoropropane
CID 12927174
Propane-1,1,1,2,3,3-d6, 2,3-dichloro-
CID 12423103
1,2-Dichloro(~13~C_3_)propane
CID 71309283

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloropropane?
The IUPAC name of 1,3-dichloropropane (CID 8881) is 1,3-dichloropropane.
What is the SMILES notation for 1,3-dichloropropane?
The canonical SMILES for 1,3-dichloropropane is ClCCCCl.
What is the InChIKey of 1,3-dichloropropane?
The InChIKey is YHRUOJUYPBUZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6Cl2/c4-2-1-3-5/h1-3H2.
What are the key properties of 1,3-dichloropropane?
1,3-dichloropropane has a molecular weight of 112.99 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloropropane is sourced from PubChem (CID 8881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).