(4,4-difluorooxan-2-yl)methanol

C6H10F2O2 — CID 90449239

IUPAC(4,4-difluorooxan-2-yl)methanol
SMILESOCC1CC(F)(F)CCO1
InChIInChI=1S/C6H10F2O2/c7-6(8)1-2-10-5(3-6)4-9/h5,9H,1-4H2
InChIKeyBOVQDYZOVCRRPB-UHFFFAOYSA-N
MW152.14 g/mol
LogP0.79
Rot. Bonds1

About (4,4-difluorooxan-2-yl)methanol

(4,4-difluorooxan-2-yl)methanol (PubChem CID 90449239) has the molecular formula C6H10F2O2 and a molecular weight of 152.14 g/mol. Its IUPAC name is (4,4-difluorooxan-2-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorooxan-2-yl)methanol
PubChem CID90449239
Molecular FormulaC6H10F2O2
Molecular Weight152.14 g/mol
Exact Mass152.06
IUPAC Name(4,4-difluorooxan-2-yl)methanol
SMILESOCC1CC(F)(F)CCO1
InChIInChI=1S/C6H10F2O2/c7-6(8)1-2-10-5(3-6)4-9/h5,9H,1-4H2
InChIKeyBOVQDYZOVCRRPB-UHFFFAOYSA-N
XLogP0.79
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.14
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydropyran-2-methanol
CID 7524
(2R,3S,4S,5S)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 445257
(2R,3S,4S,5R)-5-fluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 445914
(2R,3S,4S,5S,6S)-5,6-difluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 17753980
2-Deoxy-2-fluoro-alpha-d-glucopyranosyl fluoride
CID 2724944
5,6-Difluoro-2-(hydroxymethyl)oxane-3,4-diol
CID 14607363
1-Ethoxy-3,3,4,4,5,5,6,6,6-nonafluorohexan-2-ol
CID 13204822
3-[(3,3,4,4,5,5,6,6,6-Nonafluorohexyl)oxy]propane-1,2-diol
CID 23026186
5-fluoro-alpha-D-glucopyranosyl fluoride
CID 10420313
2,2,2-Trifluoro-1-(oxolan-2-yl)ethan-1-ol
CID 66467460
(5,5-Difluorooxan-2-yl)methanol
CID 90449207
(2R,3S,4R,5R,6R)-2,6-difluoro-2-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol
CID 44241503

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorooxan-2-yl)methanol?
The IUPAC name of (4,4-difluorooxan-2-yl)methanol (CID 90449239) is (4,4-difluorooxan-2-yl)methanol.
What is the SMILES notation for (4,4-difluorooxan-2-yl)methanol?
The canonical SMILES for (4,4-difluorooxan-2-yl)methanol is OCC1CC(F)(F)CCO1.
What is the InChIKey of (4,4-difluorooxan-2-yl)methanol?
The InChIKey is BOVQDYZOVCRRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O2/c7-6(8)1-2-10-5(3-6)4-9/h5,9H,1-4H2.
What are the key properties of (4,4-difluorooxan-2-yl)methanol?
(4,4-difluorooxan-2-yl)methanol has a molecular weight of 152.14 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorooxan-2-yl)methanol is sourced from PubChem (CID 90449239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).