2,2-dichloro-1-fluoropropane

C3H5Cl2F — CID 141136273

IUPAC2,2-dichloro-1-fluoropropane
SMILESCC(Cl)(Cl)CF
InChIInChI=1S/C3H5Cl2F/c1-3(4,5)2-6/h2H2,1H3
InChIKeyZLXNGWZTTFCWSA-UHFFFAOYSA-N
MW130.98 g/mol
LogP2.15
Rot. Bonds1

About 2,2-dichloro-1-fluoropropane

2,2-dichloro-1-fluoropropane (PubChem CID 141136273) has the molecular formula C3H5Cl2F and a molecular weight of 130.98 g/mol. Its IUPAC name is 2,2-dichloro-1-fluoropropane.

Molecular Properties

Compound Name2,2-dichloro-1-fluoropropane
PubChem CID141136273
Molecular FormulaC3H5Cl2F
Molecular Weight130.98 g/mol
Exact Mass129.98
IUPAC Name2,2-dichloro-1-fluoropropane
SMILESCC(Cl)(Cl)CF
InChIInChI=1S/C3H5Cl2F/c1-3(4,5)2-6/h2H2,1H3
InChIKeyZLXNGWZTTFCWSA-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.98
LogP ≤ 52.15
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 2,2-dichloro-1-fluoropropane?
The IUPAC name of 2,2-dichloro-1-fluoropropane (CID 141136273) is 2,2-dichloro-1-fluoropropane.
What is the SMILES notation for 2,2-dichloro-1-fluoropropane?
The canonical SMILES for 2,2-dichloro-1-fluoropropane is CC(Cl)(Cl)CF.
What is the InChIKey of 2,2-dichloro-1-fluoropropane?
The InChIKey is ZLXNGWZTTFCWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5Cl2F/c1-3(4,5)2-6/h2H2,1H3.
What are the key properties of 2,2-dichloro-1-fluoropropane?
2,2-dichloro-1-fluoropropane has a molecular weight of 130.98 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-1-fluoropropane is sourced from PubChem (CID 141136273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).