(3-oxocyclohexen-1-yl) hypofluorite

C6H7FO2 — CID 142051541

IUPAC(3-oxocyclohexen-1-yl) hypofluorite
SMILESO=C1C=C(OF)CCC1
InChIInChI=1S/C6H7FO2/c7-9-6-3-1-2-5(8)4-6/h4H,1-3H2
InChIKeyNBCYZFMQUJUJAJ-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.52
Rot. Bonds1

About (3-oxocyclohexen-1-yl) hypofluorite

(3-oxocyclohexen-1-yl) hypofluorite (PubChem CID 142051541) has the molecular formula C6H7FO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is (3-oxocyclohexen-1-yl) hypofluorite.

Molecular Properties

Compound Name(3-oxocyclohexen-1-yl) hypofluorite
PubChem CID142051541
Molecular FormulaC6H7FO2
Molecular Weight130.12 g/mol
Exact Mass130.04
IUPAC Name(3-oxocyclohexen-1-yl) hypofluorite
SMILESO=C1C=C(OF)CCC1
InChIInChI=1S/C6H7FO2/c7-9-6-3-1-2-5(8)4-6/h4H,1-3H2
InChIKeyNBCYZFMQUJUJAJ-UHFFFAOYSA-N
XLogP1.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3-oxocyclohexen-1-yl) hypofluorite?
The IUPAC name of (3-oxocyclohexen-1-yl) hypofluorite (CID 142051541) is (3-oxocyclohexen-1-yl) hypofluorite.
What is the SMILES notation for (3-oxocyclohexen-1-yl) hypofluorite?
The canonical SMILES for (3-oxocyclohexen-1-yl) hypofluorite is O=C1C=C(OF)CCC1.
What is the InChIKey of (3-oxocyclohexen-1-yl) hypofluorite?
The InChIKey is NBCYZFMQUJUJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO2/c7-9-6-3-1-2-5(8)4-6/h4H,1-3H2.
What are the key properties of (3-oxocyclohexen-1-yl) hypofluorite?
(3-oxocyclohexen-1-yl) hypofluorite has a molecular weight of 130.12 g/mol, XLogP of 1.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-oxocyclohexen-1-yl) hypofluorite is sourced from PubChem (CID 142051541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).