2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol

C9H18F3NO — CID 103856842

IUPAC2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2)3-4-13(5-6-14)7-9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyAZARPYGFVFSDKK-UHFFFAOYSA-N
MW213.24 g/mol
LogP1.89
Rot. Bonds6

About 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol

2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 103856842) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID103856842
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol
SMILESCC(C)CCN(CCO)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2)3-4-13(5-6-14)7-9(10,11)12/h8,14H,3-7H2,1-2H3
InChIKeyAZARPYGFVFSDKK-UHFFFAOYSA-N
XLogP1.89
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Dibutylamino)-2,2,2-trifluoroethanol
CID 10857179
1,1,1-Trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
CID 71288931
(2S)-1,1,1-trifluoro-3-(3-propan-2-ylazetidin-1-yl)propan-2-ol
CID 71288935
(4-Fluoro-2-hydroxy-3-methylbutyl)-trimethylazanium
CID 87170086
1-[(1,1-Difluoro-2-methylpropyl)-ethylamino]ethane-1,2-diol
CID 134219711
1-[[(2S)-2-methylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 138642088
N-[2-(difluoromethoxy)ethyl]-N,2-dimethylbutan-1-amine
CID 145013655
2-[(2,2-Difluoro-3,3-dimethylbutyl)-propylamino]ethanol
CID 145226932
4,4,4-Trifluoro-1-[2-hydroxyethyl(methyl)amino]-3-(trifluoromethyl)butan-2-ol
CID 146356664
2-[Propyl(2,2,3,3-tetrafluoropropyl)amino]ethanol
CID 147313969
3,3,3-Trifluoro-2-[methyl(2-methylpropyl)amino]propan-1-ol
CID 154957561
2-[(2,2-Difluorocyclopropyl)methyl-methylamino]ethanol
CID 156297841

Frequently Asked Questions

What is the IUPAC name of 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol (CID 103856842) is 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol is CC(C)CCN(CCO)CC(F)(F)F.
What is the InChIKey of 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is AZARPYGFVFSDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2)3-4-13(5-6-14)7-9(10,11)12/h8,14H,3-7H2,1-2H3.
What are the key properties of 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol?
2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 213.24 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methylbutyl(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 103856842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).