1,1-dichloro-1,3-difluoropropane

C3H4Cl2F2 — CID 14226151

IUPAC1,1-dichloro-1,3-difluoropropane
SMILESFCCC(F)(Cl)Cl
InChIInChI=1S/C3H4Cl2F2/c4-3(5,7)1-2-6/h1-2H2
InChIKeyYALOPJNQNYIQOA-UHFFFAOYSA-N
MW148.97 g/mol
LogP2.45
Rot. Bonds2

About 1,1-dichloro-1,3-difluoropropane

1,1-dichloro-1,3-difluoropropane (PubChem CID 14226151) has the molecular formula C3H4Cl2F2 and a molecular weight of 148.97 g/mol. Its IUPAC name is 1,1-dichloro-1,3-difluoropropane.

Molecular Properties

Compound Name1,1-dichloro-1,3-difluoropropane
PubChem CID14226151
Molecular FormulaC3H4Cl2F2
Molecular Weight148.97 g/mol
Exact Mass147.97
IUPAC Name1,1-dichloro-1,3-difluoropropane
SMILESFCCC(F)(Cl)Cl
InChIInChI=1S/C3H4Cl2F2/c4-3(5,7)1-2-6/h1-2H2
InChIKeyYALOPJNQNYIQOA-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.97
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1,1-dichloro-1,3-difluoropropane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1-Dichloro-1-fluoropropane
CID 24653
1,1,1-Trichloro-3,3,3-trifluoropropane
CID 138934
Trichlorofluoropropane
CID 14961192
HCFC-242fc
CID 11745287
1,1,1-Trichloro-2,2,3-trifluoropropane
CID 14794045
HCFC-252ec
CID 23208116
HCFC-251eb
CID 23208118
HCFC-243fc
CID 23209027
HCFC-232fa
CID 23237200
1,1,3-Trichloro-1,3,3-trifluoropropane
CID 23237201
1,1,1-Trichloro-2,3,3-trifluoropropane
CID 54124520
HCFC-222ea
CID 85674666

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,3-difluoropropane?
The IUPAC name of 1,1-dichloro-1,3-difluoropropane (CID 14226151) is 1,1-dichloro-1,3-difluoropropane.
What is the SMILES notation for 1,1-dichloro-1,3-difluoropropane?
The canonical SMILES for 1,1-dichloro-1,3-difluoropropane is FCCC(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,3-difluoropropane?
The InChIKey is YALOPJNQNYIQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2/c4-3(5,7)1-2-6/h1-2H2.
What are the key properties of 1,1-dichloro-1,3-difluoropropane?
1,1-dichloro-1,3-difluoropropane has a molecular weight of 148.97 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,3-difluoropropane is sourced from PubChem (CID 14226151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).