2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol

C8H11FO — CID 173109976

IUPAC2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1(C)CC=CC(F)=C1O
InChIInChI=1S/C8H11FO/c1-8(2)5-3-4-6(9)7(8)10/h3-4,10H,5H2,1-2H3
InChIKeyNSUNZEFWNBPRNL-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.71
Rot. Bonds

About 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol

2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol (PubChem CID 173109976) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol
PubChem CID173109976
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol
SMILESCC1(C)CC=CC(F)=C1O
InChIInChI=1S/C8H11FO/c1-8(2)5-3-4-6(9)7(8)10/h3-4,10H,5H2,1-2H3
InChIKeyNSUNZEFWNBPRNL-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol (CID 173109976) is 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol is CC1(C)CC=CC(F)=C1O.
What is the InChIKey of 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol?
The InChIKey is NSUNZEFWNBPRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-8(2)5-3-4-6(9)7(8)10/h3-4,10H,5H2,1-2H3.
What are the key properties of 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol?
2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol has a molecular weight of 142.17 g/mol, XLogP of 2.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6,6-dimethylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 173109976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).