2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane

C3H3ClF4O — CID 2773694

IUPAC2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(Cl)OCC(F)(F)F
InChIInChI=1S/C3H3ClF4O/c4-2(5)9-1-3(6,7)8/h2H,1H2
InChIKeyNAFLDUPBEDISHL-UHFFFAOYSA-N
MW166.50 g/mol
LogP2.06
Rot. Bonds2

About 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane

2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane (PubChem CID 2773694) has the molecular formula C3H3ClF4O and a molecular weight of 166.50 g/mol. Its IUPAC name is 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane.

Molecular Properties

Compound Name2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane
PubChem CID2773694
Molecular FormulaC3H3ClF4O
Molecular Weight166.50 g/mol
Exact Mass165.98
IUPAC Name2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane
SMILESFC(Cl)OCC(F)(F)F
InChIInChI=1S/C3H3ClF4O/c4-2(5)9-1-3(6,7)8/h2H,1H2
InChIKeyNAFLDUPBEDISHL-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.50
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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(fluoro)methoxy]-1,1,1-trifluoroethane?
The IUPAC name of 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane (CID 2773694) is 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane.
What is the SMILES notation for 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane?
The canonical SMILES for 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane is FC(Cl)OCC(F)(F)F.
What is the InChIKey of 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane?
The InChIKey is NAFLDUPBEDISHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3ClF4O/c4-2(5)9-1-3(6,7)8/h2H,1H2.
What are the key properties of 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane?
2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane has a molecular weight of 166.50 g/mol, XLogP of 2.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(fluoro)methoxy]-1,1,1-trifluoroethane is sourced from PubChem (CID 2773694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).