1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol

C13H20F2O2 — CID 153206669

IUPAC1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol
SMILESCCOCC(F)(F)C1=CCC(CC(C)O)C=C1
InChIInChI=1S/C13H20F2O2/c1-3-17-9-13(14,15)12-6-4-11(5-7-12)8-10(2)16/h4,6-7,10-11,16H,3,5,8-9H2,1-2H3
InChIKeyWKYNYLOTTSFGQG-UHFFFAOYSA-N
MW246.30 g/mol
LogP2.93
Rot. Bonds6

About 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol

1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol (PubChem CID 153206669) has the molecular formula C13H20F2O2 and a molecular weight of 246.30 g/mol. Its IUPAC name is 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol
PubChem CID153206669
Molecular FormulaC13H20F2O2
Molecular Weight246.30 g/mol
Exact Mass246.14
IUPAC Name1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol
SMILESCCOCC(F)(F)C1=CCC(CC(C)O)C=C1
InChIInChI=1S/C13H20F2O2/c1-3-17-9-13(14,15)12-6-4-11(5-7-12)8-10(2)16/h4,6-7,10-11,16H,3,5,8-9H2,1-2H3
InChIKeyWKYNYLOTTSFGQG-UHFFFAOYSA-N
XLogP2.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol with MolForge

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Related Compounds

1-(Trifluoromethyl)phenyl-2-methylpropane-1-ol
CID 67618108
1-(3,5-Difluoro-2,4-dimethylcyclohexa-1,5-dien-1-yl)propan-2-ol
CID 70970332
1-[3-(Trifluoromethyl)cyclohexa-2,4-dien-1-yl]pentan-2-ol
CID 71163686
(2S)-1-cyclohexa-2,4-dien-1-yl-1,1-difluoropentan-2-ol
CID 71163756
(Z)-5-buta-1,3-dien-2-yl-3-fluorooct-2-ene-2,6-diol
CID 122496243
4-[4-(Trifluoromethyl)cyclohexa-1,5-dien-1-yl]pentan-1-ol
CID 123210225
2-Cyclohexa-1,5-dien-1-yl-3,3-difluoro-4-methoxybutan-1-ol
CID 123707906
4-[1-(3-Methoxycyclopentylidene)-2-(trifluoromethyl)but-2-enyl]oct-5-en-1-ol
CID 123743579
1-(4,7-Difluoro-6-methylcyclohepta-2,4-dien-1-yl)ethanol
CID 123964902
2,2,2-Trifluoro-1-[6-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]ethanol
CID 138701941
(7Z,8E)-7-ethylidene-2-methyl-8-(trifluoromethyl)undeca-8,10-dien-5-ol
CID 143267823
(7Z)-7,8-difluoro-5-methyl-6-methylidenedeca-7,9-dien-2-ol
CID 144164036

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol?
The IUPAC name of 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol (CID 153206669) is 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol.
What is the SMILES notation for 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol?
The canonical SMILES for 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol is CCOCC(F)(F)C1=CCC(CC(C)O)C=C1.
What is the InChIKey of 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol?
The InChIKey is WKYNYLOTTSFGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2O2/c1-3-17-9-13(14,15)12-6-4-11(5-7-12)8-10(2)16/h4,6-7,10-11,16H,3,5,8-9H2,1-2H3.
What are the key properties of 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol?
1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol has a molecular weight of 246.30 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-ethoxy-1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]propan-2-ol is sourced from PubChem (CID 153206669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).