1-chloro-2-(difluoromethoxy)-2-fluoroethanol

C3H4ClF3O2 — CID 174992444

IUPAC1-chloro-2-(difluoromethoxy)-2-fluoroethanol
SMILESOC(Cl)C(F)OC(F)F
InChIInChI=1S/C3H4ClF3O2/c4-1(8)2(5)9-3(6)7/h1-3,8H
InChIKeyRBGUTQRKRNMORZ-UHFFFAOYSA-N
MW164.51 g/mol
LogP1.08
Rot. Bonds3

About 1-chloro-2-(difluoromethoxy)-2-fluoroethanol

1-chloro-2-(difluoromethoxy)-2-fluoroethanol (PubChem CID 174992444) has the molecular formula C3H4ClF3O2 and a molecular weight of 164.51 g/mol. Its IUPAC name is 1-chloro-2-(difluoromethoxy)-2-fluoroethanol.

Molecular Properties

Compound Name1-chloro-2-(difluoromethoxy)-2-fluoroethanol
PubChem CID174992444
Molecular FormulaC3H4ClF3O2
Molecular Weight164.51 g/mol
Exact Mass163.99
IUPAC Name1-chloro-2-(difluoromethoxy)-2-fluoroethanol
SMILESOC(Cl)C(F)OC(F)F
InChIInChI=1S/C3H4ClF3O2/c4-1(8)2(5)9-3(6)7/h1-3,8H
InChIKeyRBGUTQRKRNMORZ-UHFFFAOYSA-N
XLogP1.08
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.51
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 1-chloro-2-(difluoromethoxy)-2-fluoroethanol?
The IUPAC name of 1-chloro-2-(difluoromethoxy)-2-fluoroethanol (CID 174992444) is 1-chloro-2-(difluoromethoxy)-2-fluoroethanol.
What is the SMILES notation for 1-chloro-2-(difluoromethoxy)-2-fluoroethanol?
The canonical SMILES for 1-chloro-2-(difluoromethoxy)-2-fluoroethanol is OC(Cl)C(F)OC(F)F.
What is the InChIKey of 1-chloro-2-(difluoromethoxy)-2-fluoroethanol?
The InChIKey is RBGUTQRKRNMORZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClF3O2/c4-1(8)2(5)9-3(6)7/h1-3,8H.
What are the key properties of 1-chloro-2-(difluoromethoxy)-2-fluoroethanol?
1-chloro-2-(difluoromethoxy)-2-fluoroethanol has a molecular weight of 164.51 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(difluoromethoxy)-2-fluoroethanol is sourced from PubChem (CID 174992444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).