2,2-difluoro-1-(oxan-3-yl)ethanol

C7H12F2O2 — CID 80605809

IUPAC2,2-difluoro-1-(oxan-3-yl)ethanol
SMILESOC(C(F)F)C1CCCOC1
InChIInChI=1S/C7H12F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5-7,10H,1-4H2
InChIKeyRUVHIINBKJFYBU-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.04
Rot. Bonds2

About 2,2-difluoro-1-(oxan-3-yl)ethanol

2,2-difluoro-1-(oxan-3-yl)ethanol (PubChem CID 80605809) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2,2-difluoro-1-(oxan-3-yl)ethanol.

Molecular Properties

Compound Name2,2-difluoro-1-(oxan-3-yl)ethanol
PubChem CID80605809
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2,2-difluoro-1-(oxan-3-yl)ethanol
SMILESOC(C(F)F)C1CCCOC1
InChIInChI=1S/C7H12F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5-7,10H,1-4H2
InChIKeyRUVHIINBKJFYBU-UHFFFAOYSA-N
XLogP1.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(oxan-3-yl)ethanol?
The IUPAC name of 2,2-difluoro-1-(oxan-3-yl)ethanol (CID 80605809) is 2,2-difluoro-1-(oxan-3-yl)ethanol.
What is the SMILES notation for 2,2-difluoro-1-(oxan-3-yl)ethanol?
The canonical SMILES for 2,2-difluoro-1-(oxan-3-yl)ethanol is OC(C(F)F)C1CCCOC1.
What is the InChIKey of 2,2-difluoro-1-(oxan-3-yl)ethanol?
The InChIKey is RUVHIINBKJFYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c8-7(9)6(10)5-2-1-3-11-4-5/h5-7,10H,1-4H2.
What are the key properties of 2,2-difluoro-1-(oxan-3-yl)ethanol?
2,2-difluoro-1-(oxan-3-yl)ethanol has a molecular weight of 166.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(oxan-3-yl)ethanol is sourced from PubChem (CID 80605809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).