chloroethane;fluoromethane

C3H8ClF — CID 22598659

IUPACchloroethane;fluoromethane
SMILESCCCl.CF
InChIInChI=1S/C2H5Cl.CH3F/c1-2-3;1-2/h2H2,1H3;1H3
InChIKeyOSKSGCWWPKRMMA-UHFFFAOYSA-N
MW98.55 g/mol
LogP1.83
Rot. Bonds

About chloroethane;fluoromethane

chloroethane;fluoromethane (PubChem CID 22598659) has the molecular formula C3H8ClF and a molecular weight of 98.55 g/mol. Its IUPAC name is chloroethane;fluoromethane.

Molecular Properties

Compound Namechloroethane;fluoromethane
PubChem CID22598659
Molecular FormulaC3H8ClF
Molecular Weight98.55 g/mol
Exact Mass98.03
IUPAC Namechloroethane;fluoromethane
SMILESCCCl.CF
InChIInChI=1S/C2H5Cl.CH3F/c1-2-3;1-2/h2H2,1H3;1H3
InChIKeyOSKSGCWWPKRMMA-UHFFFAOYSA-N
XLogP1.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50098.55
LogP ≤ 51.83
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 chloroethane;fluoromethane?
The IUPAC name of chloroethane;fluoromethane (CID 22598659) is chloroethane;fluoromethane.
What is the SMILES notation for chloroethane;fluoromethane?
The canonical SMILES for chloroethane;fluoromethane is CCCl.CF.
What is the InChIKey of chloroethane;fluoromethane?
The InChIKey is OSKSGCWWPKRMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5Cl.CH3F/c1-2-3;1-2/h2H2,1H3;1H3.
What are the key properties of chloroethane;fluoromethane?
chloroethane;fluoromethane has a molecular weight of 98.55 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloroethane;fluoromethane is sourced from PubChem (CID 22598659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).