2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine

C8H16F3NO — CID 105452014

IUPAC2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CNC)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-13-7(2,6-12-3)5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyUWTMWBPIWBKPMJ-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds5

About 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine

2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine (PubChem CID 105452014) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
PubChem CID105452014
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
SMILESCCOC(C)(CNC)CC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-4-13-7(2,6-12-3)5-8(9,10)11/h12H,4-6H2,1-3H3
InChIKeyUWTMWBPIWBKPMJ-UHFFFAOYSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,1-diethoxy-N,N'-dimethylethane-1,2-diamine
CID 174953685
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
CID 112589696
3-ethoxy-1,1,1,2,2,3,5,5,5-nonafluoropentane
CID 126575026
2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 165462395
2-ethoxy-N-methyl-2-(thian-3-yl)propan-1-amine
CID 105471843
2-ethoxy-2-fluorobutane
CID 89114459
2-hexoxy-N,2-dimethylbutan-1-amine
CID 62354031
2-ethoxy-6,6,6-trifluoro-N,2-dimethylhexan-3-amine
CID 116726522
1-N,2-dimethyl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine;ethane
CID 171816861
3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
2,2-difluoro-N-methylbutan-1-amine;ethane
CID 143976387
2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
CID 104566510

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine?
The IUPAC name of 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine (CID 105452014) is 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine?
The canonical SMILES for 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine is CCOC(C)(CNC)CC(F)(F)F.
What is the InChIKey of 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine?
The InChIKey is UWTMWBPIWBKPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-4-13-7(2,6-12-3)5-8(9,10)11/h12H,4-6H2,1-3H3.
What are the key properties of 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine?
2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine has a molecular weight of 199.22 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine is sourced from PubChem (CID 105452014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).