2-chloro-1,1-difluoroethane

C2H3ClF2 — CID 2736499

IUPAC2-chloro-1,1-difluoroethane
SMILESFC(F)CCl
InChIInChI=1S/C2H3ClF2/c3-1-2(4)5/h2H,1H2
InChIKeyATEBGNALLCMSGS-UHFFFAOYSA-N
MW100.50 g/mol
LogP1.49
Rot. Bonds1

About 2-chloro-1,1-difluoroethane

2-chloro-1,1-difluoroethane (PubChem CID 2736499) has the molecular formula C2H3ClF2 and a molecular weight of 100.50 g/mol. Its IUPAC name is 2-chloro-1,1-difluoroethane.

Molecular Properties

Compound Name2-chloro-1,1-difluoroethane
PubChem CID2736499
Molecular FormulaC2H3ClF2
Molecular Weight100.50 g/mol
Exact Mass99.99
IUPAC Name2-chloro-1,1-difluoroethane
SMILESFC(F)CCl
InChIInChI=1S/C2H3ClF2/c3-1-2(4)5/h2H,1H2
InChIKeyATEBGNALLCMSGS-UHFFFAOYSA-N
XLogP1.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.50
LogP ≤ 51.49
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-1,1-difluoroethane?
The IUPAC name of 2-chloro-1,1-difluoroethane (CID 2736499) is 2-chloro-1,1-difluoroethane.
What is the SMILES notation for 2-chloro-1,1-difluoroethane?
The canonical SMILES for 2-chloro-1,1-difluoroethane is FC(F)CCl.
What is the InChIKey of 2-chloro-1,1-difluoroethane?
The InChIKey is ATEBGNALLCMSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3ClF2/c3-1-2(4)5/h2H,1H2.
What are the key properties of 2-chloro-1,1-difluoroethane?
2-chloro-1,1-difluoroethane has a molecular weight of 100.50 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1-difluoroethane is sourced from PubChem (CID 2736499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).