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

C12H22F3NO2 — CID 79640274

IUPAC[1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-3-16-11(8-17)6-4-5-10(7-11)18-9(2)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyWGSYBKBFFAPHSE-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.24
Rot. Bonds5

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

[1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (PubChem CID 79640274) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
PubChem CID79640274
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name[1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
SMILESCCNC1(CO)CCCC(OC(C)C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO2/c1-3-16-11(8-17)6-4-5-10(7-11)18-9(2)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3
InChIKeyWGSYBKBFFAPHSE-UHFFFAOYSA-N
XLogP2.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[2-Ethyl-2-methyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139072
[2-Ethyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139282
[2-Propyl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139283
[2-Propan-2-yl-4-(2,2,2-trifluoroethylamino)oxan-4-yl]methanol
CID 64139480
2-Methyl-2-(propylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277709
2-(Ethylamino)-2-methyl-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277710
2-Methyl-2-(propan-2-ylamino)-6-(1,1,1-trifluoropropan-2-yloxy)hexan-1-ol
CID 66277941
[1-Amino-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640127
[1-(Propylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640201
[1-(Methylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640275
[1-(Cyclopropylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol
CID 79640352

Frequently Asked Questions

What is the IUPAC name of [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The IUPAC name of [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol (CID 79640274) is [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol.
What is the SMILES notation for [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The canonical SMILES for [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is CCNC1(CO)CCCC(OC(C)C(F)(F)F)C1.
What is the InChIKey of [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
The InChIKey is WGSYBKBFFAPHSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-3-16-11(8-17)6-4-5-10(7-11)18-9(2)12(13,14)15/h9-10,16-17H,3-8H2,1-2H3.
What are the key properties of [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol?
[1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol has a molecular weight of 269.31 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(ethylamino)-3-(1,1,1-trifluoropropan-2-yloxy)cyclohexyl]methanol is sourced from PubChem (CID 79640274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).