(3,3-difluorooxolan-2-yl)methanol

C5H8F2O2 — CID 90449136

IUPAC(3,3-difluorooxolan-2-yl)methanol
SMILESOCC1OCCC1(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2
InChIKeyMRMKYMSEYBHVKO-UHFFFAOYSA-N
MW138.11 g/mol
LogP0.40
Rot. Bonds1

About (3,3-difluorooxolan-2-yl)methanol

(3,3-difluorooxolan-2-yl)methanol (PubChem CID 90449136) has the molecular formula C5H8F2O2 and a molecular weight of 138.11 g/mol. Its IUPAC name is (3,3-difluorooxolan-2-yl)methanol.

Molecular Properties

Compound Name(3,3-difluorooxolan-2-yl)methanol
PubChem CID90449136
Molecular FormulaC5H8F2O2
Molecular Weight138.11 g/mol
Exact Mass138.05
IUPAC Name(3,3-difluorooxolan-2-yl)methanol
SMILESOCC1OCCC1(F)F
InChIInChI=1S/C5H8F2O2/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2
InChIKeyMRMKYMSEYBHVKO-UHFFFAOYSA-N
XLogP0.40
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 ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorooxolan-2-yl)methanol?
The IUPAC name of (3,3-difluorooxolan-2-yl)methanol (CID 90449136) is (3,3-difluorooxolan-2-yl)methanol.
What is the SMILES notation for (3,3-difluorooxolan-2-yl)methanol?
The canonical SMILES for (3,3-difluorooxolan-2-yl)methanol is OCC1OCCC1(F)F.
What is the InChIKey of (3,3-difluorooxolan-2-yl)methanol?
The InChIKey is MRMKYMSEYBHVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2O2/c6-5(7)1-2-9-4(5)3-8/h4,8H,1-3H2.
What are the key properties of (3,3-difluorooxolan-2-yl)methanol?
(3,3-difluorooxolan-2-yl)methanol has a molecular weight of 138.11 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorooxolan-2-yl)methanol is sourced from PubChem (CID 90449136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).