1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol

C11H20F3NO2 — CID 63900876

IUPAC1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol
SMILESCC1CCCC(CO)(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-8-3-2-4-10(5-8,7-16)15-6-9(17)11(12,13)14/h8-9,15-17H,2-7H2,1H3
InChIKeyBYRVKCQULXVCOD-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.44
Rot. Bonds4

About 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol

1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol (PubChem CID 63900876) has the molecular formula C11H20F3NO2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol
PubChem CID63900876
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol
SMILESCC1CCCC(CO)(NCC(O)C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO2/c1-8-3-2-4-10(5-8,7-16)15-6-9(17)11(12,13)14/h8-9,15-17H,2-7H2,1H3
InChIKeyBYRVKCQULXVCOD-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol with MolForge

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Related Compounds

(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55086797
2-Cyclohexyl-2-((2,2,2-trifluoroethyl)amino)propan-1-ol
CID 56794360
[5-Methyl-2-propan-2-yl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044735
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[1-(2,2,2-Trifluoroethylamino)cyclohexyl]methanol
CID 61044738
2-Ethyl-4-methyl-2-(2,2,2-trifluoroethylamino)hexan-1-ol
CID 61044923
[4-Propyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045105
[4-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61045108
[2-Methyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61046016

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol (CID 63900876) is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol is CC1CCCC(CO)(NCC(O)C(F)(F)F)C1.
What is the InChIKey of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol?
The InChIKey is BYRVKCQULXVCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c1-8-3-2-4-10(5-8,7-16)15-6-9(17)11(12,13)14/h8-9,15-17H,2-7H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 63900876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).