[1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol

C11H20F3NO2 — CID 79640499

IUPAC[1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-2-15-10(7-16)5-3-4-9(6-10)17-8-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyORSKRSDDNYKBIY-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.85
Rot. Bonds5

About [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol

[1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol (PubChem CID 79640499) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
PubChem CID79640499
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name[1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-2-15-10(7-16)5-3-4-9(6-10)17-8-11(12,13)14/h9,15-16H,2-8H2,1H3
InChIKeyORSKRSDDNYKBIY-UHFFFAOYSA-N
XLogP1.85
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol (CID 79640499) is [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol is CCNC1(CO)CCCC(OCC(F)(F)F)C1.
What is the InChIKey of [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
The InChIKey is ORSKRSDDNYKBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-2-15-10(7-16)5-3-4-9(6-10)17-8-11(12,13)14/h9,15-16H,2-8H2,1H3.
What are the key properties of [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol?
[1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol has a molecular weight of 255.28 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-(2,2,2-trifluoroethoxy)cyclohexyl]methanol is sourced from PubChem (CID 79640499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).