6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one

C6H5FO2 — CID 141230749

IUPAC6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1(O)F
InChIInChI=1S/C6H5FO2/c7-6(9)4-2-1-3-5(6)8/h1-4,9H
InChIKeyLGEICTZYPBJRAG-UHFFFAOYSA-N
MW128.10 g/mol
LogP0.34
Rot. Bonds

About 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one

6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 141230749) has the molecular formula C6H5FO2 and a molecular weight of 128.10 g/mol. Its IUPAC name is 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one
PubChem CID141230749
Molecular FormulaC6H5FO2
Molecular Weight128.10 g/mol
Exact Mass128.03
IUPAC Name6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=CC1(O)F
InChIInChI=1S/C6H5FO2/c7-6(9)4-2-1-3-5(6)8/h1-4,9H
InChIKeyLGEICTZYPBJRAG-UHFFFAOYSA-N
XLogP0.34
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.10
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one (CID 141230749) is 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one is O=C1C=CC=CC1(O)F.
What is the InChIKey of 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is LGEICTZYPBJRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5FO2/c7-6(9)4-2-1-3-5(6)8/h1-4,9H.
What are the key properties of 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one?
6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 128.10 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-6-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141230749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).