4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol

C8H12F2O — CID 158756278

IUPAC4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(F)(F)C=CC1O
InChIInChI=1S/C8H12F2O/c1-7(2)5-8(9,10)4-3-6(7)11/h3-4,6,11H,5H2,1-2H3
InChIKeyIOCQTQDPHMZKBN-UHFFFAOYSA-N
MW162.18 g/mol
LogP1.97
Rot. Bonds

About 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol

4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol (PubChem CID 158756278) has the molecular formula C8H12F2O and a molecular weight of 162.18 g/mol. Its IUPAC name is 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol.

Molecular Properties

Compound Name4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol
PubChem CID158756278
Molecular FormulaC8H12F2O
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol
SMILESCC1(C)CC(F)(F)C=CC1O
InChIInChI=1S/C8H12F2O/c1-7(2)5-8(9,10)4-3-6(7)11/h3-4,6,11H,5H2,1-2H3
InChIKeyIOCQTQDPHMZKBN-UHFFFAOYSA-N
XLogP1.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5,5-Dimethylcyclohex-2-en-1-ol
CID 12601004
2-Cyclohexen-1-ol, 4,4-dimethyl-
CID 543508
2-Cyclohexen-1-ol, 4,4,6-trimethyl-
CID 558612
2,6,6-Trimethyl-2-cyclohexen-1-ol
CID 536364
(1S,4S)-1-ethenyl-5,5-dimethylcyclohex-2-ene-1,4-diol
CID 163053672
(1R,4R)-1-ethenyl-5,5-dimethylcyclohex-2-ene-1,4-diol
CID 163190615
(1R,5R)-5-tert-butylcyclohex-2-en-1-ol
CID 12632659
6,6-Dimethyl-cyclohex-2-en-1-ol
CID 550886
5-Tert-butyl-2-cyclohexen-1-OL
CID 12632658
(E)-1,1,1-trifluoro-3-methyloct-6-en-2-ol
CID 22939024
2,4-Ditert-butyl-4-(trifluoromethyl)cyclohexa-2,5-dien-1-ol
CID 23130077
(1S,4S,5R,6R)-4-ethyl-6-fluoro-5-methylcyclohex-2-en-1-ol
CID 58349926

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol?
The IUPAC name of 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol (CID 158756278) is 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol.
What is the SMILES notation for 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol?
The canonical SMILES for 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol is CC1(C)CC(F)(F)C=CC1O.
What is the InChIKey of 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol?
The InChIKey is IOCQTQDPHMZKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O/c1-7(2)5-8(9,10)4-3-6(7)11/h3-4,6,11H,5H2,1-2H3.
What are the key properties of 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol?
4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol has a molecular weight of 162.18 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-6,6-dimethylcyclohex-2-en-1-ol is sourced from PubChem (CID 158756278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).