1,3-dichloro-1,2-difluoropropane

C3H4Cl2F2 — CID 14000522

IUPAC1,3-dichloro-1,2-difluoropropane
SMILESFC(Cl)C(F)CCl
InChIInChI=1S/C3H4Cl2F2/c4-1-2(6)3(5)7/h2-3H,1H2
InChIKeyNTVWHLBOZRBNJW-UHFFFAOYSA-N
MW148.97 g/mol
LogP2.10
Rot. Bonds2

About 1,3-dichloro-1,2-difluoropropane

1,3-dichloro-1,2-difluoropropane (PubChem CID 14000522) has the molecular formula C3H4Cl2F2 and a molecular weight of 148.97 g/mol. Its IUPAC name is 1,3-dichloro-1,2-difluoropropane.

Molecular Properties

Compound Name1,3-dichloro-1,2-difluoropropane
PubChem CID14000522
Molecular FormulaC3H4Cl2F2
Molecular Weight148.97 g/mol
Exact Mass147.97
IUPAC Name1,3-dichloro-1,2-difluoropropane
SMILESFC(Cl)C(F)CCl
InChIInChI=1S/C3H4Cl2F2/c4-1-2(6)3(5)7/h2-3H,1H2
InChIKeyNTVWHLBOZRBNJW-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
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 1,3-dichloro-1,2-difluoropropane?
The IUPAC name of 1,3-dichloro-1,2-difluoropropane (CID 14000522) is 1,3-dichloro-1,2-difluoropropane.
What is the SMILES notation for 1,3-dichloro-1,2-difluoropropane?
The canonical SMILES for 1,3-dichloro-1,2-difluoropropane is FC(Cl)C(F)CCl.
What is the InChIKey of 1,3-dichloro-1,2-difluoropropane?
The InChIKey is NTVWHLBOZRBNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2/c4-1-2(6)3(5)7/h2-3H,1H2.
What are the key properties of 1,3-dichloro-1,2-difluoropropane?
1,3-dichloro-1,2-difluoropropane has a molecular weight of 148.97 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-1,2-difluoropropane is sourced from PubChem (CID 14000522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).