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

C8H11FO — CID 174576355

IUPAC4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(F)=CCC1(C)O
InChIInChI=1S/C8H11FO/c1-6-5-7(9)3-4-8(6,2)10/h3,5,10H,4H2,1-2H3
InChIKeyOIFRKUUKAMZAGT-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.94
Rot. Bonds

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

4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 174576355) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID174576355
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1=CC(F)=CCC1(C)O
InChIInChI=1S/C8H11FO/c1-6-5-7(9)3-4-8(6,2)10/h3,5,10H,4H2,1-2H3
InChIKeyOIFRKUUKAMZAGT-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 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol (CID 174576355) is 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol is CC1=CC(F)=CCC1(C)O.
What is the InChIKey of 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is OIFRKUUKAMZAGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-6-5-7(9)3-4-8(6,2)10/h3,5,10H,4H2,1-2H3.
What are the key properties of 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol?
4-fluoro-1,2-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 4-fluoro-1,2-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 174576355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).