N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

C9H18F3NO — CID 162560187

IUPACN,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCN(C)C(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,13(3)4)5-6-14-7-9(10,11)12/h5-7H2,1-4H3
InChIKeyDXQYVPPJVYJMGP-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.30
Rot. Bonds5

About N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 162560187) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID162560187
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC NameN,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCN(C)C(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-8(2,13(3)4)5-6-14-7-9(10,11)12/h5-7H2,1-4H3
InChIKeyDXQYVPPJVYJMGP-UHFFFAOYSA-N
XLogP2.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-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,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 162560187) is N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is CN(C)C(C)(C)CCOCC(F)(F)F.
What is the InChIKey of N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is DXQYVPPJVYJMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-8(2,13(3)4)5-6-14-7-9(10,11)12/h5-7H2,1-4H3.
What are the key properties of N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 162560187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).