2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H18F3N — CID 89290934

IUPAC2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3N/c1-7(2)5-13(8(3)4)6-9(10,11)12/h7-8H,5-6H2,1-4H3
InChIKeyJQIMQQOTDZXRGJ-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.92
Rot. Bonds4

About 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 89290934) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID89290934
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(C)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C9H18F3N/c1-7(2)5-13(8(3)4)6-9(10,11)12/h7-8H,5-6H2,1-4H3
InChIKeyJQIMQQOTDZXRGJ-UHFFFAOYSA-N
XLogP2.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 89290934) is 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(C)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JQIMQQOTDZXRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-7(2)5-13(8(3)4)6-9(10,11)12/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 89290934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).