4-(1,1-difluoroethyl)oxan-4-ol

C7H12F2O2 — CID 90124931

IUPAC4-(1,1-difluoroethyl)oxan-4-ol
SMILESCC(F)(F)C1(O)CCOCC1
InChIInChI=1S/C7H12F2O2/c1-6(8,9)7(10)2-4-11-5-3-7/h10H,2-5H2,1H3
InChIKeyYVZDONJIUOGNNE-UHFFFAOYSA-N
MW166.17 g/mol
LogP1.18
Rot. Bonds1

About 4-(1,1-difluoroethyl)oxan-4-ol

4-(1,1-difluoroethyl)oxan-4-ol (PubChem CID 90124931) has the molecular formula C7H12F2O2 and a molecular weight of 166.17 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)oxan-4-ol.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)oxan-4-ol
PubChem CID90124931
Molecular FormulaC7H12F2O2
Molecular Weight166.17 g/mol
Exact Mass166.08
IUPAC Name4-(1,1-difluoroethyl)oxan-4-ol
SMILESCC(F)(F)C1(O)CCOCC1
InChIInChI=1S/C7H12F2O2/c1-6(8,9)7(10)2-4-11-5-3-7/h10H,2-5H2,1H3
InChIKeyYVZDONJIUOGNNE-UHFFFAOYSA-N
XLogP1.18
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.17
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)oxan-4-ol?
The IUPAC name of 4-(1,1-difluoroethyl)oxan-4-ol (CID 90124931) is 4-(1,1-difluoroethyl)oxan-4-ol.
What is the SMILES notation for 4-(1,1-difluoroethyl)oxan-4-ol?
The canonical SMILES for 4-(1,1-difluoroethyl)oxan-4-ol is CC(F)(F)C1(O)CCOCC1.
What is the InChIKey of 4-(1,1-difluoroethyl)oxan-4-ol?
The InChIKey is YVZDONJIUOGNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O2/c1-6(8,9)7(10)2-4-11-5-3-7/h10H,2-5H2,1H3.
What are the key properties of 4-(1,1-difluoroethyl)oxan-4-ol?
4-(1,1-difluoroethyl)oxan-4-ol has a molecular weight of 166.17 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)oxan-4-ol is sourced from PubChem (CID 90124931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).