1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

C12H22F3NO2 — CID 107483874

IUPAC1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESOCCN(CC(O)CC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)9-16(5-6-17)8-11(18)7-10-3-1-2-4-10/h10-11,17-18H,1-9H2
InChIKeyHEJUAHZWGLITEC-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.78
Rot. Bonds7

About 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol

1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 107483874) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID107483874
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC Name1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESOCCN(CC(O)CC1CCCC1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO2/c13-12(14,15)9-16(5-6-17)8-11(18)7-10-3-1-2-4-10/h10-11,17-18H,1-9H2
InChIKeyHEJUAHZWGLITEC-UHFFFAOYSA-N
XLogP1.78
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Bis(2-hydroxyethyl)methyl[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl]ammonium iodide
CID 21149800
[Bis(2-hydroxyethyl)][2-hydroxy-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,13,13,13-icosafluoro-12-(trifluoromethyl)tridecan-1-yl]methylammonium iodide
CID 21149802
(4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl)bis(2-hydroxyethyl)methylammonium iodide
CID 21149804
Bis(2-hydroxyethyl)-methyl-[4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,15,15,15-tetracosafluoro-2-hydroxy-14-(trifluoromethyl)pentadecyl]azanium
CID 21149801
33WE9M2Gsl
CID 21149803
[4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl]-bis(2-hydroxyethyl)-methylazanium
CID 21149805
1-[Bis(2-hydroxyethyl)amino]-4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononan-2-ol
CID 88644398
1-(3,3-Difluorocyclopentyl)-2-(dimethylamino)ethanol
CID 134603272
1-[Bis(2-hydroxyethyl)amino]-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,14,14,14-icosafluoro-13-(trifluoromethyl)tetradecan-3-ol
CID 16206035
4,4,4-Trifluoro-1-(1-pyrrolidin-1-ylcyclopentyl)butan-1-ol
CID 79057691
4,4,4-Trifluoro-1-(1-piperidin-1-ylcyclopentyl)butan-1-ol
CID 79060200
1-[1-(Dimethylamino)cyclopentyl]-4,4,4-trifluorobutan-1-ol
CID 79068102

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 107483874) is 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is OCCN(CC(O)CC1CCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is HEJUAHZWGLITEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c13-12(14,15)9-16(5-6-17)8-11(18)7-10-3-1-2-4-10/h10-11,17-18H,1-9H2.
What are the key properties of 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 269.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 107483874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).