1-chloro-2-[chloro(difluoro)methoxy]ethanol

C3H4Cl2F2O2 — CID 174994741

IUPAC1-chloro-2-[chloro(difluoro)methoxy]ethanol
SMILESOC(Cl)COC(F)(F)Cl
InChIInChI=1S/C3H4Cl2F2O2/c4-2(8)1-9-3(5,6)7/h2,8H,1H2
InChIKeyHBUSSHYSTPGFII-UHFFFAOYSA-N
MW180.97 g/mol
LogP1.35
Rot. Bonds3

About 1-chloro-2-[chloro(difluoro)methoxy]ethanol

1-chloro-2-[chloro(difluoro)methoxy]ethanol (PubChem CID 174994741) has the molecular formula C3H4Cl2F2O2 and a molecular weight of 180.97 g/mol. Its IUPAC name is 1-chloro-2-[chloro(difluoro)methoxy]ethanol.

Molecular Properties

Compound Name1-chloro-2-[chloro(difluoro)methoxy]ethanol
PubChem CID174994741
Molecular FormulaC3H4Cl2F2O2
Molecular Weight180.97 g/mol
Exact Mass179.96
IUPAC Name1-chloro-2-[chloro(difluoro)methoxy]ethanol
SMILESOC(Cl)COC(F)(F)Cl
InChIInChI=1S/C3H4Cl2F2O2/c4-2(8)1-9-3(5,6)7/h2,8H,1H2
InChIKeyHBUSSHYSTPGFII-UHFFFAOYSA-N
XLogP1.35
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.97
LogP ≤ 51.35
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-[chloro(difluoro)methoxy]ethanol?
The IUPAC name of 1-chloro-2-[chloro(difluoro)methoxy]ethanol (CID 174994741) is 1-chloro-2-[chloro(difluoro)methoxy]ethanol.
What is the SMILES notation for 1-chloro-2-[chloro(difluoro)methoxy]ethanol?
The canonical SMILES for 1-chloro-2-[chloro(difluoro)methoxy]ethanol is OC(Cl)COC(F)(F)Cl.
What is the InChIKey of 1-chloro-2-[chloro(difluoro)methoxy]ethanol?
The InChIKey is HBUSSHYSTPGFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Cl2F2O2/c4-2(8)1-9-3(5,6)7/h2,8H,1H2.
What are the key properties of 1-chloro-2-[chloro(difluoro)methoxy]ethanol?
1-chloro-2-[chloro(difluoro)methoxy]ethanol has a molecular weight of 180.97 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[chloro(difluoro)methoxy]ethanol is sourced from PubChem (CID 174994741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).