1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol

C11H19F3O2 — CID 103216871

IUPAC1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCC1CCCC(C(O)COCC(F)(F)F)C1
InChIInChI=1S/C11H19F3O2/c1-8-3-2-4-9(5-8)10(15)6-16-7-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeySUVIJMZEJUPZJU-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.75
Rot. Bonds4

About 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol

1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol (PubChem CID 103216871) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol.

Molecular Properties

Compound Name1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
PubChem CID103216871
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol
SMILESCC1CCCC(C(O)COCC(F)(F)F)C1
InChIInChI=1S/C11H19F3O2/c1-8-3-2-4-9(5-8)10(15)6-16-7-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeySUVIJMZEJUPZJU-UHFFFAOYSA-N
XLogP2.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
1-cyclopentyl-2-(3,3,3-trifluoropropoxy)ethanol
CID 104753766
1-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 103215449
4-methoxy-1-(3-methylcyclohexyl)butan-1-ol
CID 62606188
1-(3-methylcyclohexyl)butane-1,2-diol
CID 103454489
2,2-dimethyl-1-(3-methylcyclohexyl)butan-1-ol
CID 115808372
2-ethyl-1-(3-methylcyclohexyl)butane-1,2-diol
CID 103449271
[1-cyclopentyl-2-(2,2,2-trifluoroethoxy)ethyl]hydrazine
CID 103217238
(3-methylcyclohexyl)-(2-methylcyclopropyl)methanol
CID 65422554
2-(3-methylcyclohexyl)pentan-3-ol
CID 79436238
2-(3,4-difluorophenyl)-1-(3-methylcyclohexyl)ethanol
CID 82920862
(3R)-1-methyl-3-propan-2-ylcyclohexane
CID 154523132

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The IUPAC name of 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol (CID 103216871) is 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol.
What is the SMILES notation for 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The canonical SMILES for 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol is CC1CCCC(C(O)COCC(F)(F)F)C1.
What is the InChIKey of 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
The InChIKey is SUVIJMZEJUPZJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-8-3-2-4-9(5-8)10(15)6-16-7-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol?
1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol has a molecular weight of 240.26 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)ethanol is sourced from PubChem (CID 103216871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).