2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C8H16F3NO — CID 62565222

IUPAC2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)13-7(3)4-12-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyTWCHJVFFGSBYCU-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.95
Rot. Bonds5

About 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 62565222) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID62565222
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)OC(C)CNCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-6(2)13-7(3)4-12-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3
InChIKeyTWCHJVFFGSBYCU-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

2-(2-methylpentoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 103285826
2-(2-methoxyethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62567457
2-methyl-N-(2-propan-2-yloxypropyl)propan-1-amine
CID 62444418
2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 112590123
2-methyl-3-(2,2,2-trifluoroethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 106706230
2-hexoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598311
2-(4-bromophenoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62570732
2-(4-methylcyclohexyl)oxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62566700
(2S)-N-methyl-2-propan-2-yloxypropan-1-amine
CID 94405357
N-(2-methoxyethyl)-2-propan-2-yloxypropan-1-amine
CID 62567498
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
N-(2,2,2-trifluoroethyl)-2-(2,3,5-trimethylphenoxy)propan-1-amine
CID 55092742

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 62565222) is 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)OC(C)CNCC(F)(F)F.
What is the InChIKey of 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is TWCHJVFFGSBYCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-6(2)13-7(3)4-12-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-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-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 62565222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).