1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol

C8H11FO — CID 150434244

IUPAC1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1(C)C=CC=CC1(O)F
InChIInChI=1S/C8H11FO/c1-7(2)5-3-4-6-8(7,9)10/h3-6,10H,1-2H3
InChIKeyHKKQKSYZOMNWDZ-UHFFFAOYSA-N
MW142.17 g/mol
LogP1.80
Rot. Bonds

About 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol

1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol (PubChem CID 150434244) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol.

Molecular Properties

Compound Name1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol
PubChem CID150434244
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol
SMILESCC1(C)C=CC=CC1(O)F
InChIInChI=1S/C8H11FO/c1-7(2)5-3-4-6-8(7,9)10/h3-6,10H,1-2H3
InChIKeyHKKQKSYZOMNWDZ-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol?
The IUPAC name of 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol (CID 150434244) is 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol.
What is the SMILES notation for 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol?
The canonical SMILES for 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol is CC1(C)C=CC=CC1(O)F.
What is the InChIKey of 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol?
The InChIKey is HKKQKSYZOMNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-7(2)5-3-4-6-8(7,9)10/h3-6,10H,1-2H3.
What are the key properties of 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol?
1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 1.80, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6,6-dimethylcyclohexa-2,4-dien-1-ol is sourced from PubChem (CID 150434244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).