(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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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).