2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol

C9H18F3NO2 — CID 115638162

IUPAC2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
SMILESCN(CCOCC(F)(F)F)C(C)(C)CO
InChIInChI=1S/C9H18F3NO2/c1-8(2,6-14)13(3)4-5-15-7-9(10,11)12/h14H,4-7H2,1-3H3
InChIKeyKYBFFHJOBPZFKX-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.27
Rot. Bonds6

About 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol

2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol (PubChem CID 115638162) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
PubChem CID115638162
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
SMILESCN(CCOCC(F)(F)F)C(C)(C)CO
InChIInChI=1S/C9H18F3NO2/c1-8(2,6-14)13(3)4-5-15-7-9(10,11)12/h14H,4-7H2,1-3H3
InChIKeyKYBFFHJOBPZFKX-UHFFFAOYSA-N
XLogP1.27
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]propane-1,2-diamine
CID 62010161
2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]acetic acid
CID 61490462
N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 114243684
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
2-[2-[2-[2-[2-[2-[2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 21097608
2,2-difluoro-1-[2-(2,2,2-trifluoroethoxy)ethoxy]propane
CID 175613997
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 62015613
2-[2-(4-ethoxyphenoxy)ethyl-methylamino]-2-methylpropan-1-ol
CID 115638131
2-(fluoromethoxymethyl)-2-methylpropane-1,3-diol;2-methyl-2-(2,2,2-trifluoroethoxymethyl)propane-1,3-diol;tetrafluoromethane
CID 159500657
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006
1-[[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]methyl]cyclopentan-1-ol
CID 115758625

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
The IUPAC name of 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol (CID 115638162) is 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol is CN(CCOCC(F)(F)F)C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
The InChIKey is KYBFFHJOBPZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-8(2,6-14)13(3)4-5-15-7-9(10,11)12/h14H,4-7H2,1-3H3.
What are the key properties of 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol?
2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol has a molecular weight of 229.24 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol is sourced from PubChem (CID 115638162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).