N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C10H20F3NO — CID 62724329

IUPACN-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-14-7-9(2,3)5-6-15-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyJYYYILQSNAIBNE-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds7

About N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62724329) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62724329
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCNCC(C)(C)CCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-4-14-7-9(2,3)5-6-15-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyJYYYILQSNAIBNE-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-2,2-dimethyl-4-(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-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62724329) is N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCNCC(C)(C)CCOCC(F)(F)F.
What is the InChIKey of N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is JYYYILQSNAIBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-4-14-7-9(2,3)5-6-15-8-10(11,12)13/h14H,4-8H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62724329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).