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

C6H12F3N — CID 20626700

IUPAC2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(2,3)10-4-6(7,8)9/h10H,4H2,1-3H3
InChIKeyPGHJGVBGEAGNEJ-UHFFFAOYSA-N
MW155.16 g/mol
LogP1.94
Rot. Bonds1

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

2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (PubChem CID 20626700) has the molecular formula C6H12F3N and a molecular weight of 155.16 g/mol. Its IUPAC name is 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
PubChem CID20626700
Molecular FormulaC6H12F3N
Molecular Weight155.16 g/mol
Exact Mass155.09
IUPAC Name2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine
SMILESCC(C)(C)NCC(F)(F)F
InChIInChI=1S/C6H12F3N/c1-5(2,3)10-4-6(7,8)9/h10H,4H2,1-3H3
InChIKeyPGHJGVBGEAGNEJ-UHFFFAOYSA-N
XLogP1.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The IUPAC name of 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine (CID 20626700) is 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine.
What is the SMILES notation for 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The canonical SMILES for 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is CC(C)(C)NCC(F)(F)F.
What is the InChIKey of 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
The InChIKey is PGHJGVBGEAGNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3N/c1-5(2,3)10-4-6(7,8)9/h10H,4H2,1-3H3.
What are the key properties of 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine?
2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine has a molecular weight of 155.16 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2,2,2-trifluoroethyl)propan-2-amine is sourced from PubChem (CID 20626700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).