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

C13H24F3NO — CID 103159927

IUPAC1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)N(CC(O)CC1CCCC1)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-12(18)7-11-5-3-4-6-11/h10-12,18H,3-9H2,1-2H3
InChIKeyUCKCCVPHCGXEED-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.20
Rot. Bonds6

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

1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (PubChem CID 103159927) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
PubChem CID103159927
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol
SMILESCC(C)N(CC(O)CC1CCCC1)CC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-12(18)7-11-5-3-4-6-11/h10-12,18H,3-9H2,1-2H3
InChIKeyUCKCCVPHCGXEED-UHFFFAOYSA-N
XLogP3.20
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[Di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol
CID 11488061
1-Cyclohexyl-1-[methyl(2,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049565
1-Cyclohexyl-1-[methyl(1,2,2-trifluoroethyl)amino]pentane-2,3-diol
CID 70049570
1-(3,3-Difluorocyclopentyl)-2-(dimethylamino)ethanol
CID 134603272
(5,5-Difluoro-1-methyl-6-propan-2-ylpiperidin-2-yl)methanol
CID 171531582
4-Methyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61763986
4-Methyl-2-[methyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764164
4-Propyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764772
2-[Propan-2-yl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61764957
4-Ethyl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61764968
4-Ethyl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 61765149
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-propylcyclohexan-1-ol
CID 61765151

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol (CID 103159927) is 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is CC(C)N(CC(O)CC1CCCC1)CC(F)(F)F.
What is the InChIKey of 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
The InChIKey is UCKCCVPHCGXEED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-10(2)17(9-13(14,15)16)8-12(18)7-11-5-3-4-6-11/h10-12,18H,3-9H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol?
1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol has a molecular weight of 267.33 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[propan-2-yl(2,2,2-trifluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 103159927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).