3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol

C6H8F6O3 — CID 121336057

IUPAC3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol
SMILESCC(OC(F)(F)CO)C(F)(F)C(O)(F)F
InChIInChI=1S/C6H8F6O3/c1-3(15-4(7,8)2-13)5(9,10)6(11,12)14/h3,13-14H,2H2,1H3
InChIKeyOZVBIURUEBEUQV-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.20
Rot. Bonds5

About 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol

3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol (PubChem CID 121336057) has the molecular formula C6H8F6O3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol.

Molecular Properties

Compound Name3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol
PubChem CID121336057
Molecular FormulaC6H8F6O3
Molecular Weight242.12 g/mol
Exact Mass242.04
IUPAC Name3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol
SMILESCC(OC(F)(F)CO)C(F)(F)C(O)(F)F
InChIInChI=1S/C6H8F6O3/c1-3(15-4(7,8)2-13)5(9,10)6(11,12)14/h3,13-14H,2H2,1H3
InChIKeyOZVBIURUEBEUQV-UHFFFAOYSA-N
XLogP1.20
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol?
The IUPAC name of 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol (CID 121336057) is 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol.
What is the SMILES notation for 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol?
The canonical SMILES for 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol is CC(OC(F)(F)CO)C(F)(F)C(O)(F)F.
What is the InChIKey of 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol?
The InChIKey is OZVBIURUEBEUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F6O3/c1-3(15-4(7,8)2-13)5(9,10)6(11,12)14/h3,13-14H,2H2,1H3.
What are the key properties of 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol?
3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol has a molecular weight of 242.12 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoro-2-hydroxyethoxy)-1,1,2,2-tetrafluorobutan-1-ol is sourced from PubChem (CID 121336057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).