N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine

C8H16F3N — CID 59134896

IUPACN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCN(CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H16F3N/c1-5-12(7(2,3)4)6-8(9,10)11/h5-6H2,1-4H3
InChIKeyZECBAZIQZROIHU-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.67
Rot. Bonds2

About N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine

N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 59134896) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID59134896
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCCN(CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C8H16F3N/c1-5-12(7(2,3)4)6-8(9,10)11/h5-6H2,1-4H3
InChIKeyZECBAZIQZROIHU-UHFFFAOYSA-N
XLogP2.67
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 59134896) is N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is CCN(CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is ZECBAZIQZROIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-5-12(7(2,3)4)6-8(9,10)11/h5-6H2,1-4H3.
What are the key properties of N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 59134896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).