[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol

C10H17F3O2 — CID 84735797

IUPAC[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol
SMILESCOC(C1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-15-9(10(11,12)13)8-4-2-7(6-14)3-5-8/h7-9,14H,2-6H2,1H3
InChIKeyZDRZJUYTHVTKRL-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.36
Rot. Bonds3

About [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol

[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol (PubChem CID 84735797) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol
PubChem CID84735797
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol
SMILESCOC(C1CCC(CO)CC1)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-15-9(10(11,12)13)8-4-2-7(6-14)3-5-8/h7-9,14H,2-6H2,1H3
InChIKeyZDRZJUYTHVTKRL-UHFFFAOYSA-N
XLogP2.36
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol?
The IUPAC name of [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol (CID 84735797) is [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol.
What is the SMILES notation for [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol?
The canonical SMILES for [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol is COC(C1CCC(CO)CC1)C(F)(F)F.
What is the InChIKey of [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol?
The InChIKey is ZDRZJUYTHVTKRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-15-9(10(11,12)13)8-4-2-7(6-14)3-5-8/h7-9,14H,2-6H2,1H3.
What are the key properties of [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol?
[4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol has a molecular weight of 226.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoro-1-methoxyethyl)cyclohexyl]methanol is sourced from PubChem (CID 84735797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).