2-[1-(trifluoromethyl)cyclohexyl]oxyethanol

C9H15F3O2 — CID 166516995

IUPAC2-[1-(trifluoromethyl)cyclohexyl]oxyethanol
SMILESOCCOC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)8(14-7-6-13)4-2-1-3-5-8/h13H,1-7H2
InChIKeyLMTCKAHTSNEDHO-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.26
Rot. Bonds3

About 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol

2-[1-(trifluoromethyl)cyclohexyl]oxyethanol (PubChem CID 166516995) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol.

Molecular Properties

Compound Name2-[1-(trifluoromethyl)cyclohexyl]oxyethanol
PubChem CID166516995
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-[1-(trifluoromethyl)cyclohexyl]oxyethanol
SMILESOCCOC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)8(14-7-6-13)4-2-1-3-5-8/h13H,1-7H2
InChIKeyLMTCKAHTSNEDHO-UHFFFAOYSA-N
XLogP2.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol?
The IUPAC name of 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol (CID 166516995) is 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol.
What is the SMILES notation for 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol?
The canonical SMILES for 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol is OCCOC1(C(F)(F)F)CCCCC1.
What is the InChIKey of 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol?
The InChIKey is LMTCKAHTSNEDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)8(14-7-6-13)4-2-1-3-5-8/h13H,1-7H2.
What are the key properties of 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol?
2-[1-(trifluoromethyl)cyclohexyl]oxyethanol has a molecular weight of 212.21 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(trifluoromethyl)cyclohexyl]oxyethanol is sourced from PubChem (CID 166516995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).