1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol

C11H20F3NO2 — CID 113359638

IUPAC1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol
SMILESOCC1(CNCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9(17)6-15-7-10(8-16)4-2-1-3-5-10/h9,15-17H,1-8H2
InChIKeyRPSUNUNJSOTTCQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.44
Rot. Bonds5

About 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol

1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol (PubChem CID 113359638) 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)cyclohexyl]methylamino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol
PubChem CID113359638
Molecular FormulaC11H20F3NO2
Molecular Weight255.28 g/mol
Exact Mass255.14
IUPAC Name1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol
SMILESOCC1(CNCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C11H20F3NO2/c12-11(13,14)9(17)6-15-7-10(8-16)4-2-1-3-5-10/h9,15-17H,1-8H2
InChIKeyRPSUNUNJSOTTCQ-UHFFFAOYSA-N
XLogP1.44
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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)cyclohexyl]methylamino]propan-2-ol with MolForge

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Related Compounds

4-Amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
CID 70048103
(2S,3R,4S)-4-amino-5-cyclohexyl-1-(3,3,3-trifluoropropylamino)pentane-2,3-diol
CID 154299915
[1-[3-(2,2,2-Trifluoroethoxy)propylamino]cyclohexyl]methanol
CID 55082079
[3,3,5-Trimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 61044737
[1-(2,2,2-Trifluoroethylamino)cyclohexyl]methanol
CID 61044738
[1-(2,2-Difluoroethylamino)cyclohexyl]methanol
CID 62520277
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
CID 63900669
1,1,1-Trifluoro-3-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]propan-2-ol
CID 63900876
[4,4-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 64400334
[3,3-Dimethyl-1-(2,2,2-trifluoroethylamino)cyclohexyl]methanol
CID 64470007
[1-(3,3,3-Trifluoropropylamino)cyclohexyl]methanol
CID 64555212
2-[(3,3,3-Trifluoropropylamino)methyl]cyclohexan-1-ol
CID 64910973

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol (CID 113359638) is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol is OCC1(CNCC(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol?
The InChIKey is RPSUNUNJSOTTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2/c12-11(13,14)9(17)6-15-7-10(8-16)4-2-1-3-5-10/h9,15-17H,1-8H2.
What are the key properties of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol?
1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]methylamino]propan-2-ol has a molecular weight of 255.28 g/mol, XLogP of 1.44, 5 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)cyclohexyl]methylamino]propan-2-ol is sourced from PubChem (CID 113359638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).