4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol

C9H13FO — CID 70212259

IUPAC4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1=CC=C(O)C(C)(F)C1
InChIInChI=1S/C9H13FO/c1-3-7-4-5-8(11)9(2,10)6-7/h4-5,11H,3,6H2,1-2H3
InChIKeyKSQYBRGCWDHDPS-UHFFFAOYSA-N
MW156.20 g/mol
LogP2.90
Rot. Bonds1

About 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol

4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol (PubChem CID 70212259) has the molecular formula C9H13FO and a molecular weight of 156.20 g/mol. Its IUPAC name is 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol
PubChem CID70212259
Molecular FormulaC9H13FO
Molecular Weight156.20 g/mol
Exact Mass156.10
IUPAC Name4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol
SMILESCCC1=CC=C(O)C(C)(F)C1
InChIInChI=1S/C9H13FO/c1-3-7-4-5-8(11)9(2,10)6-7/h4-5,11H,3,6H2,1-2H3
InChIKeyKSQYBRGCWDHDPS-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.20
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Difluoro-4-methylcyclohexa-1,3-dien-1-ol
CID 67121662
6-Fluoro-3,5-dimethylcyclohexen-1-ol
CID 68095038
2-Fluoro-5-iodo-5-propylcyclohexa-1,3-dien-1-ol
CID 68634619
3-(5-Fluoro-3-methylcyclohex-3-en-1-yl)prop-1-en-2-ol
CID 122496234
1-(3-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)-2-methylpropan-2-ol
CID 129180601
3-Fluoro-5-propan-2-ylcyclohexa-1,3-dien-1-ol
CID 130306838
4-(2-Fluoropropan-2-yl)cyclohexa-1,3-dien-1-ol
CID 138514146
2-Fluoro-4-methylcyclohexa-1,3-dien-1-ol
CID 143567896
5,6-Difluoro-4-(2-fluoropropyl)cyclohexa-1,3-dien-1-ol
CID 144328701
Ethane;4-methyl-2-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 144598110
Ethane;4-(trifluoromethyl)cyclohexa-1,3-dien-1-ol
CID 144650411
4-[(3E)-4-fluoro-5-hydroxyhexa-1,3,5-trien-2-yl]cyclohexa-1,3-dien-1-ol
CID 144896561

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol (CID 70212259) is 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol is CCC1=CC=C(O)C(C)(F)C1.
What is the InChIKey of 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is KSQYBRGCWDHDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO/c1-3-7-4-5-8(11)9(2,10)6-7/h4-5,11H,3,6H2,1-2H3.
What are the key properties of 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol?
4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 156.20 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-fluoro-6-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 70212259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).