2-fluoro-2-(oxan-3-yl)ethanol

C7H13FO2 — CID 105429206

IUPAC2-fluoro-2-(oxan-3-yl)ethanol
SMILESOCC(F)C1CCCOC1
InChIInChI=1S/C7H13FO2/c8-7(4-9)6-2-1-3-10-5-6/h6-7,9H,1-5H2
InChIKeyQZQLGSOKDUVKNT-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.74
Rot. Bonds2

About 2-fluoro-2-(oxan-3-yl)ethanol

2-fluoro-2-(oxan-3-yl)ethanol (PubChem CID 105429206) has the molecular formula C7H13FO2 and a molecular weight of 148.18 g/mol. Its IUPAC name is 2-fluoro-2-(oxan-3-yl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(oxan-3-yl)ethanol
PubChem CID105429206
Molecular FormulaC7H13FO2
Molecular Weight148.18 g/mol
Exact Mass148.09
IUPAC Name2-fluoro-2-(oxan-3-yl)ethanol
SMILESOCC(F)C1CCCOC1
InChIInChI=1S/C7H13FO2/c8-7(4-9)6-2-1-3-10-5-6/h6-7,9H,1-5H2
InChIKeyQZQLGSOKDUVKNT-UHFFFAOYSA-N
XLogP0.74
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxan-3-yl)ethanol?
The IUPAC name of 2-fluoro-2-(oxan-3-yl)ethanol (CID 105429206) is 2-fluoro-2-(oxan-3-yl)ethanol.
What is the SMILES notation for 2-fluoro-2-(oxan-3-yl)ethanol?
The canonical SMILES for 2-fluoro-2-(oxan-3-yl)ethanol is OCC(F)C1CCCOC1.
What is the InChIKey of 2-fluoro-2-(oxan-3-yl)ethanol?
The InChIKey is QZQLGSOKDUVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2/c8-7(4-9)6-2-1-3-10-5-6/h6-7,9H,1-5H2.
What are the key properties of 2-fluoro-2-(oxan-3-yl)ethanol?
2-fluoro-2-(oxan-3-yl)ethanol has a molecular weight of 148.18 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxan-3-yl)ethanol is sourced from PubChem (CID 105429206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).