6-fluorocyclohexa-2,4-dien-1-ol

C6H7FO — CID 134894964

IUPAC6-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1F
InChIInChI=1S/C6H7FO/c7-5-3-1-2-4-6(5)8/h1-6,8H
InChIKeyJTXAREHOVSKQHV-UHFFFAOYSA-N
MW114.12 g/mol
LogP0.81
Rot. Bonds

About 6-fluorocyclohexa-2,4-dien-1-ol

6-fluorocyclohexa-2,4-dien-1-ol (PubChem CID 134894964) has the molecular formula C6H7FO and a molecular weight of 114.12 g/mol. Its IUPAC name is 6-fluorocyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name6-fluorocyclohexa-2,4-dien-1-ol
PubChem CID134894964
Molecular FormulaC6H7FO
Molecular Weight114.12 g/mol
Exact Mass114.05
IUPAC Name6-fluorocyclohexa-2,4-dien-1-ol
SMILESOC1C=CC=CC1F
InChIInChI=1S/C6H7FO/c7-5-3-1-2-4-6(5)8/h1-6,8H
InChIKeyJTXAREHOVSKQHV-UHFFFAOYSA-N
XLogP0.81
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 ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluorocyclohexa-2,4-dien-1-ol?
The IUPAC name of 6-fluorocyclohexa-2,4-dien-1-ol (CID 134894964) is 6-fluorocyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 6-fluorocyclohexa-2,4-dien-1-ol?
The canonical SMILES for 6-fluorocyclohexa-2,4-dien-1-ol is OC1C=CC=CC1F.
What is the InChIKey of 6-fluorocyclohexa-2,4-dien-1-ol?
The InChIKey is JTXAREHOVSKQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FO/c7-5-3-1-2-4-6(5)8/h1-6,8H.
What are the key properties of 6-fluorocyclohexa-2,4-dien-1-ol?
6-fluorocyclohexa-2,4-dien-1-ol has a molecular weight of 114.12 g/mol, XLogP of 0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluorocyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 134894964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).