6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one

C9H9FO3 — CID 67802332

IUPAC6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=C(O)C=CC1(O)C1CC1F
InChIInChI=1S/C9H9FO3/c10-7-4-6(7)9(13)2-1-5(11)3-8(9)12/h1-3,6-7,11,13H,4H2
InChIKeyWKGSUNWPWFJOJC-UHFFFAOYSA-N
MW184.17 g/mol
LogP0.66
Rot. Bonds1

About 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one

6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one (PubChem CID 67802332) has the molecular formula C9H9FO3 and a molecular weight of 184.17 g/mol. Its IUPAC name is 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one
PubChem CID67802332
Molecular FormulaC9H9FO3
Molecular Weight184.17 g/mol
Exact Mass184.05
IUPAC Name6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=C(O)C=CC1(O)C1CC1F
InChIInChI=1S/C9H9FO3/c10-7-4-6(7)9(13)2-1-5(11)3-8(9)12/h1-3,6-7,11,13H,4H2
InChIKeyWKGSUNWPWFJOJC-UHFFFAOYSA-N
XLogP0.66
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.17
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-Hydroxy-6-propylcyclohexa-2,4-dien-1-one
CID 57219040
6-Cyclopropyl-3,6-dihydroxycyclohexa-2,4-dien-1-one
CID 70396717
1-(1-Hydroxy-6-methylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 137357829
6-Hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
CID 140987931

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one (CID 67802332) is 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one is O=C1C=C(O)C=CC1(O)C1CC1F.
What is the InChIKey of 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one?
The InChIKey is WKGSUNWPWFJOJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3/c10-7-4-6(7)9(13)2-1-5(11)3-8(9)12/h1-3,6-7,11,13H,4H2.
What are the key properties of 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one?
6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one has a molecular weight of 184.17 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 67802332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).