2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol

C15H19F3O — CID 162562430

IUPAC2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol
SMILESCCC1=C(O)C=C(C2CC=CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H19F3O/c1-2-10-6-7-12(9-14(10)19)11-4-3-5-13(8-11)15(16,17)18/h3,5,9,11,13,19H,2,4,6-8H2,1H3
InChIKeyXAVHMHIIFONERW-UHFFFAOYSA-N
MW272.31 g/mol
LogP5.07
Rot. Bonds2

About 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol

2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol (PubChem CID 162562430) has the molecular formula C15H19F3O and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol
PubChem CID162562430
Molecular FormulaC15H19F3O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol
SMILESCCC1=C(O)C=C(C2CC=CC(C(F)(F)F)C2)CC1
InChIInChI=1S/C15H19F3O/c1-2-10-6-7-12(9-14(10)19)11-4-3-5-13(8-11)15(16,17)18/h3,5,9,11,13,19H,2,4,6-8H2,1H3
InChIKeyXAVHMHIIFONERW-UHFFFAOYSA-N
XLogP5.07
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.31
LogP ≤ 55.07
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

3,8-Dimethyl-5-propan-2-yl-4,4a,5,6-tetrahydronaphthalen-2-ol
CID 163186211
5-[1,1,1,3,3,3-Hexafluoro-2-(3-hydroxy-4-methylcyclohexa-1,3-dien-1-yl)propan-2-yl]-2-methylcyclohexa-1,5-dien-1-ol
CID 58852652
2,4-Ditert-butyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-ol
CID 70400563
4-[2-[4-(4-Methylcyclohexyl)cyclohexyl]ethyl]-2-(4,4,4-trifluorobutyl)cyclohexa-1,5-dien-1-ol
CID 71083736
(3E,5E)-10,10,10-trifluoro-8-methyl-6-(3-methylbutyl)deca-1,3,5-trien-3-ol
CID 132002216
(3Z,7Z)-3,4-difluoro-10,13-dimethyl-5,6,9-trimethylidenepentadeca-1,3,7,14-tetraen-2-ol
CID 138534857
(3Z,7E)-7-fluoro-5,6,9-trimethylidene-11-(4-pentylcyclohexa-2,4-dien-1-yl)undeca-1,3,7-trien-2-ol
CID 142281703
Difluoro-[4-methyl-4-(4-methyloctyl)cyclohexa-1,5-dien-1-yl]methanol
CID 143238985
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylidenedeca-1,3-dien-2-ol
CID 143777055
(3Z,7Z)-7,8-difluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 143908759
(3E,7Z)-3-fluoro-10,13-dimethyl-5,6,9-trimethylidenetetradeca-1,3,7-trien-2-ol
CID 144055817
(3Z)-3,4-difluoro-6,9-dimethyl-5-methylideneundeca-1,3-dien-2-ol
CID 144733838

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol?
The IUPAC name of 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol (CID 162562430) is 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol?
The canonical SMILES for 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol is CCC1=C(O)C=C(C2CC=CC(C(F)(F)F)C2)CC1.
What is the InChIKey of 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol?
The InChIKey is XAVHMHIIFONERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O/c1-2-10-6-7-12(9-14(10)19)11-4-3-5-13(8-11)15(16,17)18/h3,5,9,11,13,19H,2,4,6-8H2,1H3.
What are the key properties of 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol?
2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol has a molecular weight of 272.31 g/mol, XLogP of 5.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[5-(trifluoromethyl)cyclohex-3-en-1-yl]cyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 162562430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).