2-(4,4-difluorooxan-3-yl)ethanol

C7H12F2O2 — CID 165442667

IUPAC2-(4,4-difluorooxan-3-yl)ethanol
SMILESOCCC1COCCC1(F)F
InChIInChI=1S/C7H12F2O2/c8-7(9)2-4-11-5-6(7)1-3-10/h6,10H,1-5H2
InChIKeyXCOYWFOJTHMSME-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.04
Rot. Bonds2

About 2-(4,4-difluorooxan-3-yl)ethanol

2-(4,4-difluorooxan-3-yl)ethanol (PubChem CID 165442667) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 2-(4,4-difluorooxan-3-yl)ethanol.

Molecular Properties

Compound Name2-(4,4-difluorooxan-3-yl)ethanol
PubChem CID165442667
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name2-(4,4-difluorooxan-3-yl)ethanol
SMILESOCCC1COCCC1(F)F
InChIInChI=1S/C7H12F2O2/c8-7(9)2-4-11-5-6(7)1-3-10/h6,10H,1-5H2
InChIKeyXCOYWFOJTHMSME-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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Related Compounds

2-(4,4-difluorooxan-3-yl)ethanamine
CID 84764908
2-(4,4-dimethyl-1,3-dioxan-5-yl)ethanol
CID 130124154
2-(4,4-difluorooxolan-3-yl)ethanamine
CID 84763242
2-(1,4,7,10-tetraoxacyclododec-2-yl)ethanol
CID 21459614
3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
CID 129407915
2-[(3R)-2,2-difluoropyrrolidin-3-yl]ethanol
CID 91602738
3-(2-hydroxyethyl)oxan-4-ol
CID 58654187
3-oxabicyclo[4.1.0]heptan-6-ylmethanol
CID 131073665
[(4S)-3-butan-2-yl-4-fluorooxan-4-yl]methanol
CID 142391371
3-(oxolan-3-yl)oxolane-3-carboxylic acid
CID 79426025
3-amino-4-(cyclobutylmethyl)oxane-4-carboxylic acid
CID 84782858
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorooxan-3-yl)ethanol?
The IUPAC name of 2-(4,4-difluorooxan-3-yl)ethanol (CID 165442667) is 2-(4,4-difluorooxan-3-yl)ethanol.
What is the SMILES notation for 2-(4,4-difluorooxan-3-yl)ethanol?
The canonical SMILES for 2-(4,4-difluorooxan-3-yl)ethanol is OCCC1COCCC1(F)F.
What is the InChIKey of 2-(4,4-difluorooxan-3-yl)ethanol?
The InChIKey is XCOYWFOJTHMSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c8-7(9)2-4-11-5-6(7)1-3-10/h6,10H,1-5H2.
What are the key properties of 2-(4,4-difluorooxan-3-yl)ethanol?
2-(4,4-difluorooxan-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-(4,4-difluorooxan-3-yl)ethanol is sourced from PubChem (CID 165442667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).