chloro(fluoro)methane;1,2-difluoroethane

C3H6ClF3 — CID 88793824

IUPACchloro(fluoro)methane;1,2-difluoroethane
SMILESFCCF.FCCl
InChIInChI=1S/C2H4F2.CH2ClF/c3-1-2-4;2-1-3/h1-2H2;1H2
InChIKeyMAVOAWKSWQQJPT-UHFFFAOYSA-N
MW134.53 g/mol
LogP2.08
Rot. Bonds1

About chloro(fluoro)methane;1,2-difluoroethane

chloro(fluoro)methane;1,2-difluoroethane (PubChem CID 88793824) has the molecular formula C3H6ClF3 and a molecular weight of 134.53 g/mol. Its IUPAC name is chloro(fluoro)methane;1,2-difluoroethane.

Molecular Properties

Compound Namechloro(fluoro)methane;1,2-difluoroethane
PubChem CID88793824
Molecular FormulaC3H6ClF3
Molecular Weight134.53 g/mol
Exact Mass134.01
IUPAC Namechloro(fluoro)methane;1,2-difluoroethane
SMILESFCCF.FCCl
InChIInChI=1S/C2H4F2.CH2ClF/c3-1-2-4;2-1-3/h1-2H2;1H2
InChIKeyMAVOAWKSWQQJPT-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.53
LogP ≤ 52.08
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 chloro(fluoro)methane;1,2-difluoroethane?
The IUPAC name of chloro(fluoro)methane;1,2-difluoroethane (CID 88793824) is chloro(fluoro)methane;1,2-difluoroethane.
What is the SMILES notation for chloro(fluoro)methane;1,2-difluoroethane?
The canonical SMILES for chloro(fluoro)methane;1,2-difluoroethane is FCCF.FCCl.
What is the InChIKey of chloro(fluoro)methane;1,2-difluoroethane?
The InChIKey is MAVOAWKSWQQJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4F2.CH2ClF/c3-1-2-4;2-1-3/h1-2H2;1H2.
What are the key properties of chloro(fluoro)methane;1,2-difluoroethane?
chloro(fluoro)methane;1,2-difluoroethane has a molecular weight of 134.53 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(fluoro)methane;1,2-difluoroethane is sourced from PubChem (CID 88793824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).