2-chloro-1,2,2-trifluoroethanol

C2H2ClF3O — CID 57117523

IUPAC2-chloro-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)Cl
InChIInChI=1S/C2H2ClF3O/c3-2(5,6)1(4)7/h1,7H
InChIKeyBHPXASFCRVQSBU-UHFFFAOYSA-N
MW134.48 g/mol
LogP1.11
Rot. Bonds1

About 2-chloro-1,2,2-trifluoroethanol

2-chloro-1,2,2-trifluoroethanol (PubChem CID 57117523) has the molecular formula C2H2ClF3O and a molecular weight of 134.48 g/mol. Its IUPAC name is 2-chloro-1,2,2-trifluoroethanol.

Molecular Properties

Compound Name2-chloro-1,2,2-trifluoroethanol
PubChem CID57117523
Molecular FormulaC2H2ClF3O
Molecular Weight134.48 g/mol
Exact Mass133.97
IUPAC Name2-chloro-1,2,2-trifluoroethanol
SMILESOC(F)C(F)(F)Cl
InChIInChI=1S/C2H2ClF3O/c3-2(5,6)1(4)7/h1,7H
InChIKeyBHPXASFCRVQSBU-UHFFFAOYSA-N
XLogP1.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.48
LogP ≤ 51.11
H-Bond Donors ≤ 51
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-1,2,2-trifluoroethanol?
The IUPAC name of 2-chloro-1,2,2-trifluoroethanol (CID 57117523) is 2-chloro-1,2,2-trifluoroethanol.
What is the SMILES notation for 2-chloro-1,2,2-trifluoroethanol?
The canonical SMILES for 2-chloro-1,2,2-trifluoroethanol is OC(F)C(F)(F)Cl.
What is the InChIKey of 2-chloro-1,2,2-trifluoroethanol?
The InChIKey is BHPXASFCRVQSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2ClF3O/c3-2(5,6)1(4)7/h1,7H.
What are the key properties of 2-chloro-1,2,2-trifluoroethanol?
2-chloro-1,2,2-trifluoroethanol has a molecular weight of 134.48 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2,2-trifluoroethanol is sourced from PubChem (CID 57117523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).