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

C10H20F3NO2 — CID 107151967

IUPAC4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,3)4-7(15)5-14-6-8(16)10(11,12)13/h7-8,14-16H,4-6H2,1-3H3
InChIKeyZPJSHLVBCPJMMR-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.30
Rot. Bonds5

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

4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol (PubChem CID 107151967) has the molecular formula C10H20F3NO2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol
PubChem CID107151967
Molecular FormulaC10H20F3NO2
Molecular Weight243.27 g/mol
Exact Mass243.14
IUPAC Name4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol
SMILESCC(C)(C)CC(O)CNCC(O)C(F)(F)F
InChIInChI=1S/C10H20F3NO2/c1-9(2,3)4-7(15)5-14-6-8(16)10(11,12)13/h7-8,14-16H,4-6H2,1-3H3
InChIKeyZPJSHLVBCPJMMR-UHFFFAOYSA-N
XLogP1.30
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol with MolForge

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Related Compounds

1-[[3,3-Difluoro-1-(hydroxymethyl)cyclobutyl]amino]-4-methylpentan-2-ol
CID 163393202
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-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 62950063
3-[(2-Cyclopropyl-2-hydroxyethyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63899645
4-Methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-1-ol
CID 63900038
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
CID 63900050
1,1,1-Trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457
2-Ethyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
CID 63900668
1,1,1-Trifluoro-3-(4-methylpentylamino)propan-2-ol
CID 63902298
2-Methyl-2-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-1-ol
CID 64550587
2-Methyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]butan-2-ol
CID 65106052

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol (CID 107151967) is 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol is CC(C)(C)CC(O)CNCC(O)C(F)(F)F.
What is the InChIKey of 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol?
The InChIKey is ZPJSHLVBCPJMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO2/c1-9(2,3)4-7(15)5-14-6-8(16)10(11,12)13/h7-8,14-16H,4-6H2,1-3H3.
What are the key properties of 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol?
4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol has a molecular weight of 243.27 g/mol, XLogP of 1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pentan-2-ol is sourced from PubChem (CID 107151967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).