2-chloro-1,3-difluoropropane

C3H5ClF2 — CID 557081

IUPAC2-chloro-1,3-difluoropropane
SMILESFCC(Cl)CF
InChIInChI=1S/C3H5ClF2/c4-3(1-5)2-6/h3H,1-2H2
InChIKeyPDMNHCOWNZISJG-UHFFFAOYSA-N
MW114.52 g/mol
LogP1.53
Rot. Bonds2

About 2-chloro-1,3-difluoropropane

2-chloro-1,3-difluoropropane (PubChem CID 557081) has the molecular formula C3H5ClF2 and a molecular weight of 114.52 g/mol. Its IUPAC name is 2-chloro-1,3-difluoropropane.

Molecular Properties

Compound Name2-chloro-1,3-difluoropropane
PubChem CID557081
Molecular FormulaC3H5ClF2
Molecular Weight114.52 g/mol
Exact Mass114.00
IUPAC Name2-chloro-1,3-difluoropropane
SMILESFCC(Cl)CF
InChIInChI=1S/C3H5ClF2/c4-3(1-5)2-6/h3H,1-2H2
InChIKeyPDMNHCOWNZISJG-UHFFFAOYSA-N
XLogP1.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.52
LogP ≤ 51.53
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-chloro-1,3-difluoropropane?
The IUPAC name of 2-chloro-1,3-difluoropropane (CID 557081) is 2-chloro-1,3-difluoropropane.
What is the SMILES notation for 2-chloro-1,3-difluoropropane?
The canonical SMILES for 2-chloro-1,3-difluoropropane is FCC(Cl)CF.
What is the InChIKey of 2-chloro-1,3-difluoropropane?
The InChIKey is PDMNHCOWNZISJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClF2/c4-3(1-5)2-6/h3H,1-2H2.
What are the key properties of 2-chloro-1,3-difluoropropane?
2-chloro-1,3-difluoropropane has a molecular weight of 114.52 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,3-difluoropropane is sourced from PubChem (CID 557081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).