4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol

C9H18F3NO2 — CID 63900038

IUPAC4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-6(2)3-7(5-14)13-4-8(15)9(10,11)12/h6-8,13-15H,3-5H2,1-2H3
InChIKeyGSJIIHVYQFWXNT-UHFFFAOYSA-N
MW229.24 g/mol
LogP0.91
Rot. Bonds6

About 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol

4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol (PubChem CID 63900038) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
PubChem CID63900038
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
SMILESCC(C)CC(CO)NCC(O)C(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-6(2)3-7(5-14)13-4-8(15)9(10,11)12/h6-8,13-15H,3-5H2,1-2H3
InChIKeyGSJIIHVYQFWXNT-UHFFFAOYSA-N
XLogP0.91
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

t-Butylleucinol
CID 59118614
1,1,1-Trifluoro-4-(2-methylpropylamino)hexan-2-ol
CID 89162252
(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
(2R)-4,4-dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245457
(2R)-4-methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 163245686
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
CID 163393202
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]butan-2-ol
CID 163393211
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]pentan-2-ol
CID 167099875
4,4-Dimethyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169759866
4-Methyl-2-[[3-methyl-3-(trifluoromethoxy)cyclobutyl]amino]pentan-1-ol
CID 169760200
4-Methyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]pentan-1-ol
CID 54962234

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol?
The IUPAC name of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol (CID 63900038) is 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol.
What is the SMILES notation for 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol?
The canonical SMILES for 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol is CC(C)CC(CO)NCC(O)C(F)(F)F.
What is the InChIKey of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol?
The InChIKey is GSJIIHVYQFWXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-6(2)3-7(5-14)13-4-8(15)9(10,11)12/h6-8,13-15H,3-5H2,1-2H3.
What are the key properties of 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol?
4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol is sourced from PubChem (CID 63900038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).