(4,4-difluorooxolan-3-yl)methanol

C5H8F2O2 — CID 105427956

IUPAC(4,4-difluorooxolan-3-yl)methanol
SMILESOCC1COCC1(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)3-9-2-4(5)1-8/h4,8H,1-3H2
InChIKeyMAKUNRZRYFBPOI-UHFFFAOYSA-N
MW138.11 g/mol
LogP0.26
Rot. Bonds1

About (4,4-difluorooxolan-3-yl)methanol

(4,4-difluorooxolan-3-yl)methanol (PubChem CID 105427956) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is (4,4-difluorooxolan-3-yl)methanol.

Molecular Properties

Compound Name(4,4-difluorooxolan-3-yl)methanol
PubChem CID105427956
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name(4,4-difluorooxolan-3-yl)methanol
SMILESOCC1COCC1(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)3-9-2-4(5)1-8/h4,8H,1-3H2
InChIKeyMAKUNRZRYFBPOI-UHFFFAOYSA-N
XLogP0.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Tetrahydro-3-furanmethanol
CID 139980
((3S)-oxolan-3-yl)methanol
CID 40784875
[(3R)-oxolan-3-yl]methanol
CID 40488404
2,2,2-Trifluoro-1-(oxolan-3-yl)ethan-1-ol
CID 61645213
(3-Fluorooxolan-3-yl)methanol
CID 76003333
2,2-Difluoro-1-(oxolan-3-yl)ethan-1-ol
CID 80604390
[(3R)-3-fluorooxolan-3-yl]methanol
CID 56973678
[2,2,3,4,5,5-Hexafluoro-4-(hydroxymethyl)oxolan-3-yl]methanol
CID 58017934
[2-(Trifluoromethyl)oxolan-3-yl]methanol
CID 102568029
(5-Fluorooxolan-3-yl)methanol
CID 140989211
2-(2,2,2-Trifluoroethoxymethyl)butane-1,4-diol
CID 146489799
[3-(Difluoromethyl)tetrahydrofuran-3-yl]methanol
CID 163297243

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorooxolan-3-yl)methanol?
The IUPAC name of (4,4-difluorooxolan-3-yl)methanol (CID 105427956) is (4,4-difluorooxolan-3-yl)methanol.
What is the SMILES notation for (4,4-difluorooxolan-3-yl)methanol?
The canonical SMILES for (4,4-difluorooxolan-3-yl)methanol is OCC1COCC1(F)F.
What is the InChIKey of (4,4-difluorooxolan-3-yl)methanol?
The InChIKey is MAKUNRZRYFBPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c6-5(7)3-9-2-4(5)1-8/h4,8H,1-3H2.
What are the key properties of (4,4-difluorooxolan-3-yl)methanol?
(4,4-difluorooxolan-3-yl)methanol has a molecular weight of 138.11 g/mol, XLogP of 0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorooxolan-3-yl)methanol is sourced from PubChem (CID 105427956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).