oxepan-2-one;hydrofluoride

C6H11FO2 — CID 160670945

IUPACoxepan-2-one;hydrofluoride
SMILESF.O=C1CCCCCO1
InChIInChI=1S/C6H10O2.FH/c7-6-4-2-1-3-5-8-6;/h1-5H2;1H
InChIKeyQSAHWSYOJISWBS-UHFFFAOYSA-N
MW134.15 g/mol
LogP1.26
Rot. Bonds

About oxepan-2-one;hydrofluoride

oxepan-2-one;hydrofluoride (PubChem CID 160670945) has the molecular formula C6H11FO2 and a molecular weight of 134.15 g/mol. Its IUPAC name is oxepan-2-one;hydrofluoride.

Molecular Properties

Compound Nameoxepan-2-one;hydrofluoride
PubChem CID160670945
Molecular FormulaC6H11FO2
Molecular Weight134.15 g/mol
Exact Mass134.07
IUPAC Nameoxepan-2-one;hydrofluoride
SMILESF.O=C1CCCCCO1
InChIInChI=1S/C6H10O2.FH/c7-6-4-2-1-3-5-8-6;/h1-5H2;1H
InChIKeyQSAHWSYOJISWBS-UHFFFAOYSA-N
XLogP1.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.15
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of oxepan-2-one;hydrofluoride?
The IUPAC name of oxepan-2-one;hydrofluoride (CID 160670945) is oxepan-2-one;hydrofluoride.
What is the SMILES notation for oxepan-2-one;hydrofluoride?
The canonical SMILES for oxepan-2-one;hydrofluoride is F.O=C1CCCCCO1.
What is the InChIKey of oxepan-2-one;hydrofluoride?
The InChIKey is QSAHWSYOJISWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.FH/c7-6-4-2-1-3-5-8-6;/h1-5H2;1H.
What are the key properties of oxepan-2-one;hydrofluoride?
oxepan-2-one;hydrofluoride has a molecular weight of 134.15 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for oxepan-2-one;hydrofluoride is sourced from PubChem (CID 160670945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).