2-chloro-1,1,1-trifluoroethane

C2H2ClF3 — CID 6408

IUPAC2-chloro-1,1,1-trifluoroethane
SMILESFC(F)(F)CCl
InChIInChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
InChIKeyCYXIKYKBLDZZNW-UHFFFAOYSA-N
MW118.49 g/mol
LogP1.79
Rot. Bonds

About 2-chloro-1,1,1-trifluoroethane

2-chloro-1,1,1-trifluoroethane (PubChem CID 6408) has the molecular formula C2H2ClF3 and a molecular weight of 118.49 g/mol. Its IUPAC name is 2-chloro-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-chloro-1,1,1-trifluoroethane
PubChem CID6408
Molecular FormulaC2H2ClF3
Molecular Weight118.49 g/mol
Exact Mass117.98
IUPAC Name2-chloro-1,1,1-trifluoroethane
SMILESFC(F)(F)CCl
InChIInChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
InChIKeyCYXIKYKBLDZZNW-UHFFFAOYSA-N
XLogP1.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.49
LogP ≤ 51.79
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-1,1,1-trifluoroethane?
The IUPAC name of 2-chloro-1,1,1-trifluoroethane (CID 6408) is 2-chloro-1,1,1-trifluoroethane.
What is the SMILES notation for 2-chloro-1,1,1-trifluoroethane?
The canonical SMILES for 2-chloro-1,1,1-trifluoroethane is FC(F)(F)CCl.
What is the InChIKey of 2-chloro-1,1,1-trifluoroethane?
The InChIKey is CYXIKYKBLDZZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2.
What are the key properties of 2-chloro-1,1,1-trifluoroethane?
2-chloro-1,1,1-trifluoroethane has a molecular weight of 118.49 g/mol, XLogP of 1.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,1,1-trifluoroethane is sourced from PubChem (CID 6408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).