3-fluorocyclohexa-1,5-dien-1-ol

C6H7FO — CID 89100848

IUPAC3-fluorocyclohexa-1,5-dien-1-ol
SMILESOC1=CC(F)CC=C1
InChIInChI=1S/C6H7FO/c7-5-2-1-3-6(8)4-5/h1,3-5,8H,2H2
InChIKeyQFMINMDCAASIDQ-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.73
Rot. Bonds

About 3-fluorocyclohexa-1,5-dien-1-ol

3-fluorocyclohexa-1,5-dien-1-ol (PubChem CID 89100848) has the molecular formula C6H7FO and a molecular weight of 114.12 g/mol. Its IUPAC name is 3-fluorocyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name3-fluorocyclohexa-1,5-dien-1-ol
PubChem CID89100848
Molecular FormulaC6H7FO
Molecular Weight114.12 g/mol
Exact Mass114.05
IUPAC Name3-fluorocyclohexa-1,5-dien-1-ol
SMILESOC1=CC(F)CC=C1
InChIInChI=1S/C6H7FO/c7-5-2-1-3-6(8)4-5/h1,3-5,8H,2H2
InChIKeyQFMINMDCAASIDQ-UHFFFAOYSA-N
XLogP1.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Difluorocyclohexa-1,5-dien-1-ol
CID 142307514
4h-Phenol
CID 445908
Cyclopenta-1,4-dien-1-ol
CID 13796696
2-Fluorocyclohexa-1,3-dien-1-ol
CID 19379545
1-Fluorocyclohexa-2,4-dien-1-ol
CID 20201527
1,6-Difluorocyclohexa-2,4-dien-1-ol
CID 22027063
1-Fluorocyclohexa-3,5-diene-1,3-diol
CID 22996723
1,3,6-Trifluorocyclohexa-2,4-dien-1-ol
CID 67532845
5-Fluorocyclohexa-1,3-dien-1-ol
CID 68200870
5-Fluorocyclohexa-1,5-dien-1-ol
CID 68353020
2,4-Difluorocyclohexa-1,5-diene-1,4-diol
CID 68897124
5-Fluorocyclohexa-2,4-diene-1,1-diol
CID 70369904

Frequently Asked Questions

What is the IUPAC name of 3-fluorocyclohexa-1,5-dien-1-ol?
The IUPAC name of 3-fluorocyclohexa-1,5-dien-1-ol (CID 89100848) is 3-fluorocyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 3-fluorocyclohexa-1,5-dien-1-ol?
The canonical SMILES for 3-fluorocyclohexa-1,5-dien-1-ol is OC1=CC(F)CC=C1.
What is the InChIKey of 3-fluorocyclohexa-1,5-dien-1-ol?
The InChIKey is QFMINMDCAASIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO/c7-5-2-1-3-6(8)4-5/h1,3-5,8H,2H2.
What are the key properties of 3-fluorocyclohexa-1,5-dien-1-ol?
3-fluorocyclohexa-1,5-dien-1-ol has a molecular weight of 114.12 g/mol, XLogP of 1.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorocyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 89100848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).