N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine

C10H20F3NO — CID 115002349

IUPACN-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(CCNC(C)(C)C)OCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(15-7-10(11,12)13)5-6-14-9(2,3)4/h8,14H,5-7H2,1-4H3
InChIKeyNDAFBNLNQFOUQO-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.73
Rot. Bonds5

About N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine

N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 115002349) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID115002349
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCC(CCNC(C)(C)C)OCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-8(15-7-10(11,12)13)5-6-14-9(2,3)4/h8,14H,5-7H2,1-4H3
InChIKeyNDAFBNLNQFOUQO-UHFFFAOYSA-N
XLogP2.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine (CID 115002349) is N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine is CC(CCNC(C)(C)C)OCC(F)(F)F.
What is the InChIKey of N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is NDAFBNLNQFOUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-8(15-7-10(11,12)13)5-6-14-9(2,3)4/h8,14H,5-7H2,1-4H3.
What are the key properties of N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine?
N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 115002349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).