2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

C10H20F3NO — CID 62353425

IUPAC2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCCNCC(C)(CC)OCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-6-14-7-9(3,5-2)15-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyNDVFSOPQSHSUSZ-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds7

About 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine

2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62353425) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62353425
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCCNCC(C)(CC)OCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-6-14-7-9(3,5-2)15-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyNDVFSOPQSHSUSZ-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62353425) is 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is CCCNCC(C)(CC)OCC(F)(F)F.
What is the InChIKey of 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is NDVFSOPQSHSUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-6-14-7-9(3,5-2)15-8-10(11,12)13/h14H,4-8H2,1-3H3.
What are the key properties of 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine?
2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propyl-2-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62353425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).