2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol

C9H11F3O2 — CID 90892521

IUPAC2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol
SMILESOCCC1=CCCC(OC(F)(F)F)=C1
InChIInChI=1S/C9H11F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h2,6,13H,1,3-5H2
InChIKeyIMOQTMGQHDMTQC-UHFFFAOYSA-N
MW208.18 g/mol
LogP2.51
Rot. Bonds3

About 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol

2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol (PubChem CID 90892521) has the molecular formula C9H11F3O2 and a molecular weight of 208.18 g/mol. Its IUPAC name is 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol
PubChem CID90892521
Molecular FormulaC9H11F3O2
Molecular Weight208.18 g/mol
Exact Mass208.07
IUPAC Name2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol
SMILESOCCC1=CCCC(OC(F)(F)F)=C1
InChIInChI=1S/C9H11F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h2,6,13H,1,3-5H2
InChIKeyIMOQTMGQHDMTQC-UHFFFAOYSA-N
XLogP2.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.18
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Difluoromethyl)-3,6-dimethylidenecyclohexa-1,4-diene-1,4-diol
CID 90939794
(E,3Z)-3-ethylidene-5-(trifluoromethoxy)hex-4-en-1-ol
CID 130445466
(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol
CID 144707366
3-[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]prop-2-yn-1-ol
CID 162545097
[2-Fluoro-4-methyl-5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]methanol
CID 163813342
(E,2R)-3-methylidene-5-(trifluoromethoxy)hex-4-en-2-ol
CID 170748515
2-(4,4-Difluorocyclohexa-1,5-dien-1-yl)ethanol
CID 175882443
3-[4-(Trifluoromethoxy)cyclohexa-1,3-dien-1-yl]propan-1-ol
CID 162556749
3-(2-Hydroxyethyl)cyclohexa-1,3-dien-1-ol
CID 89502833
2-(5-Methoxycyclohexa-1,5-dien-1-yl)ethanol
CID 122434469

Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol?
The IUPAC name of 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol (CID 90892521) is 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol.
What is the SMILES notation for 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol?
The canonical SMILES for 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol is OCCC1=CCCC(OC(F)(F)F)=C1.
What is the InChIKey of 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol?
The InChIKey is IMOQTMGQHDMTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O2/c10-9(11,12)14-8-3-1-2-7(6-8)4-5-13/h2,6,13H,1,3-5H2.
What are the key properties of 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol?
2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol has a molecular weight of 208.18 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethoxy)cyclohexa-1,5-dien-1-yl]ethanol is sourced from PubChem (CID 90892521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).