3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol

C8H16F3NO — CID 154957561

IUPAC3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol
SMILESCC(C)CN(C)C(CO)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)4-12(3)7(5-13)8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyZOXVASKSWVYILR-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.50
Rot. Bonds4

About 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol

3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol (PubChem CID 154957561) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol
PubChem CID154957561
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol
SMILESCC(C)CN(C)C(CO)C(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)4-12(3)7(5-13)8(9,10)11/h6-7,13H,4-5H2,1-3H3
InChIKeyZOXVASKSWVYILR-UHFFFAOYSA-N
XLogP1.50
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol
CID 105435035
4,4,4-trifluoro-3-[methyl(2-methylbutyl)amino]butanoic acid
CID 63067747
2-[cyclopentyl(propan-2-yl)amino]-3,3,3-trifluoropropan-1-ol
CID 176871800
2-[(3-amino-1,1,1-trifluoropropan-2-yl)-methylamino]ethanol
CID 60960619
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
3,3,3-trifluoro-2-[[methyl(2-methylpropyl)amino]methyl]propanoic acid
CID 80996963
3-[butan-2-yl(methyl)amino]-1,1,1-trifluoropropan-2-ol
CID 63902045
3,3,3-trifluoro-2-N-methyl-2-N-(2-methylbutan-2-yl)propane-1,2-diamine
CID 63982622
3,3,3-trifluoro-2-N-(2-methylpropyl)-2-N-pentan-3-ylpropane-1,2-diamine
CID 79483506
3-[cyclopropyl(2-methylpropyl)amino]-4,4,4-trifluorobutanoic acid
CID 63067633
(2R)-3-methyl-2-(trifluoromethyl)butan-1-ol
CID 88612576
5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
CID 107198399

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol (CID 154957561) is 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol is CC(C)CN(C)C(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol?
The InChIKey is ZOXVASKSWVYILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)4-12(3)7(5-13)8(9,10)11/h6-7,13H,4-5H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol?
3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol has a molecular weight of 199.22 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol is sourced from PubChem (CID 154957561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).