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

C10H18F3NO2 — CID 63900669

IUPAC1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
SMILESOCC1(NCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(16)6-14-9(7-15)4-2-1-3-5-9/h8,14-16H,1-7H2
InChIKeyHUOJOIQJXIVYFS-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.19
Rot. Bonds4

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

1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol (PubChem CID 63900669) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
PubChem CID63900669
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC Name1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol
SMILESOCC1(NCC(O)C(F)(F)F)CCCCC1
InChIInChI=1S/C10H18F3NO2/c11-10(12,13)8(16)6-14-9(7-15)4-2-1-3-5-9/h8,14-16H,1-7H2
InChIKeyHUOJOIQJXIVYFS-UHFFFAOYSA-N
XLogP1.19
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-cyclohexyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]propan-1-ol
CID 96415684
4-Amino-5-cyclohexyl-1-(2,3,3-trifluoropropylamino)pentane-2,3-diol
CID 70048103
4-(Propan-2-ylamino)-4-(trifluoromethyl)cyclohexan-1-ol
CID 146476193
(2S,3R,4S)-4-amino-5-cyclohexyl-1-(3,3,3-trifluoropropylamino)pentane-2,3-diol
CID 154299915
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
3,3-Difluoro-1-azaspiro[4.5]decan-4-OL
CID 171397172
3,3,8,8-Tetrafluoro-1-azaspiro[4.5]decan-4-OL
CID 171397175
2-(Tert-butylamino)-1-cyclohexylethanol
CID 62772381
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol (CID 63900669) is 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol is OCC1(NCC(O)C(F)(F)F)CCCCC1.
What is the InChIKey of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
The InChIKey is HUOJOIQJXIVYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c11-10(12,13)8(16)6-14-9(7-15)4-2-1-3-5-9/h8,14-16H,1-7H2.
What are the key properties of 1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol?
1,1,1-trifluoro-3-[[1-(hydroxymethyl)cyclohexyl]amino]propan-2-ol has a molecular weight of 241.25 g/mol, XLogP of 1.19, 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)cyclohexyl]amino]propan-2-ol is sourced from PubChem (CID 63900669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).