oxan-2-yl 2,2-difluoropropanoate

C8H12F2O3 — CID 58391760

IUPACoxan-2-yl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCO1
InChIInChI=1S/C8H12F2O3/c1-8(9,10)7(11)13-6-4-2-3-5-12-6/h6H,2-5H2,1H3
InChIKeyOBELZNTWLBPHSH-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.71
Rot. Bonds2

About oxan-2-yl 2,2-difluoropropanoate

oxan-2-yl 2,2-difluoropropanoate (PubChem CID 58391760) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is oxan-2-yl 2,2-difluoropropanoate.

Molecular Properties

Compound Nameoxan-2-yl 2,2-difluoropropanoate
PubChem CID58391760
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Nameoxan-2-yl 2,2-difluoropropanoate
SMILESCC(F)(F)C(=O)OC1CCCCO1
InChIInChI=1S/C8H12F2O3/c1-8(9,10)7(11)13-6-4-2-3-5-12-6/h6H,2-5H2,1H3
InChIKeyOBELZNTWLBPHSH-UHFFFAOYSA-N
XLogP1.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of oxan-2-yl 2,2-difluoropropanoate?
The IUPAC name of oxan-2-yl 2,2-difluoropropanoate (CID 58391760) is oxan-2-yl 2,2-difluoropropanoate.
What is the SMILES notation for oxan-2-yl 2,2-difluoropropanoate?
The canonical SMILES for oxan-2-yl 2,2-difluoropropanoate is CC(F)(F)C(=O)OC1CCCCO1.
What is the InChIKey of oxan-2-yl 2,2-difluoropropanoate?
The InChIKey is OBELZNTWLBPHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c1-8(9,10)7(11)13-6-4-2-3-5-12-6/h6H,2-5H2,1H3.
What are the key properties of oxan-2-yl 2,2-difluoropropanoate?
oxan-2-yl 2,2-difluoropropanoate has a molecular weight of 194.18 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-2-yl 2,2-difluoropropanoate is sourced from PubChem (CID 58391760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).