Chlorodifluoropropane

C3H5ClF2 — CID 19812724

IUPAC1-chloro-1,1-difluoropropane
SMILESCCC(F)(F)Cl
InChIInChI=1S/C3H5ClF2/c1-2-3(4,5)6/h2H2,1H3
InChIKeyATJSHGXKPLTCEG-UHFFFAOYSA-N
MW114.52 g/mol
LogP2.50
Rot. Bonds1

About Chlorodifluoropropane

Chlorodifluoropropane (PubChem CID 19812724) has the molecular formula C3H5ClF2 and a molecular weight of 114.52 g/mol. Its IUPAC name is 1-chloro-1,1-difluoropropane.

Molecular Properties

Compound NameChlorodifluoropropane
PubChem CID19812724
Molecular FormulaC3H5ClF2
Molecular Weight114.52 g/mol
Exact Mass114.00
IUPAC Name1-chloro-1,1-difluoropropane
SMILESCCC(F)(F)Cl
InChIInChI=1S/C3H5ClF2/c1-2-3(4,5)6/h2H2,1H3
InChIKeyATJSHGXKPLTCEG-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity44

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.52
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 Chlorodifluoropropane?
The IUPAC name of Chlorodifluoropropane (CID 19812724) is 1-chloro-1,1-difluoropropane.
What is the SMILES notation for Chlorodifluoropropane?
The canonical SMILES for Chlorodifluoropropane is CCC(F)(F)Cl.
What is the InChIKey of Chlorodifluoropropane?
The InChIKey is ATJSHGXKPLTCEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2/c1-2-3(4,5)6/h2H2,1H3.
What are the key properties of Chlorodifluoropropane?
Chlorodifluoropropane has a molecular weight of 114.52 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Chlorodifluoropropane is sourced from PubChem (CID 19812724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).