5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol

C8H11FO — CID 167074361

IUPAC5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(F)CC(C)(O)C=C1
InChIInChI=1S/C8H11FO/c1-6-3-4-8(2,10)5-7(6)9/h3-4,10H,5H2,1-2H3
InChIKeyNWNXBBKZYWTTDG-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.94
Rot. Bonds

About 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol

5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 167074361) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID167074361
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=C(F)CC(C)(O)C=C1
InChIInChI=1S/C8H11FO/c1-6-3-4-8(2,10)5-7(6)9/h3-4,10H,5H2,1-2H3
InChIKeyNWNXBBKZYWTTDG-UHFFFAOYSA-N
XLogP1.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol (CID 167074361) is 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol is CC1=C(F)CC(C)(O)C=C1.
What is the InChIKey of 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is NWNXBBKZYWTTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6-3-4-8(2,10)5-7(6)9/h3-4,10H,5H2,1-2H3.
What are the key properties of 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol?
5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 167074361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).