2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol

C10H20F3NO — CID 114447669

IUPAC2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CN(C)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)9(3,15)7-14(4)6-5-10(11,12)13/h8,15H,5-7H2,1-4H3
InChIKeyQNKNESBZHDYNMM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.28
Rot. Bonds5

About 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol

2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol (PubChem CID 114447669) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
PubChem CID114447669
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol
SMILESCC(C)C(C)(O)CN(C)CCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(2)9(3,15)7-14(4)6-5-10(11,12)13/h8,15H,5-7H2,1-4H3
InChIKeyQNKNESBZHDYNMM-UHFFFAOYSA-N
XLogP2.28
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-chloro-1-N,2-N,2-trimethyl-1-N-(3,3,3-trifluoropropyl)propane-1,2-diamine
CID 162564092
2,3-dimethyl-1-[methyl(2-pyrrolidin-1-ylethyl)amino]butan-2-ol
CID 114448987
1-[(3-amino-2,2-dimethylpropyl)-methylamino]-2,3-dimethylbutan-2-ol
CID 114496570
methyl 3-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]-2-methylpropanoate
CID 114448878
ethyl 2-[(2-hydroxy-2,3-dimethylbutyl)-methylamino]acetate
CID 114448917
6-[methyl(3,3,3-trifluoropropyl)amino]hexan-3-ol
CID 106802444
1-[ethyl(propyl)amino]-2,3-dimethylbutan-2-ol
CID 114448900
N-(2,2-dimethoxyethyl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 66222785
4-[2-methyl-1-[methyl(3,3,3-trifluoropropyl)amino]propan-2-yl]aniline
CID 80556590
1-(2-methylpropylamino)-3-[methyl(3,3,3-trifluoropropyl)amino]propan-2-ol
CID 115475408
1-[cyclobutyl(methyl)amino]-2,3-dimethylbutan-2-ol
CID 114495819
N-(1-chloropropan-2-yl)-3,3,3-trifluoro-N-methylpropan-1-amine
CID 104555151

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
The IUPAC name of 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol (CID 114447669) is 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol is CC(C)C(C)(O)CN(C)CCC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
The InChIKey is QNKNESBZHDYNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(2)9(3,15)7-14(4)6-5-10(11,12)13/h8,15H,5-7H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol?
2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol has a molecular weight of 227.27 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-[methyl(3,3,3-trifluoropropyl)amino]butan-2-ol is sourced from PubChem (CID 114447669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).