4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine

C11H22F3NO — CID 115513651

IUPAC4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
SMILESCC(C)CCOCCNCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2)4-8-16-9-7-15-6-3-5-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyULIYAPAMIFNTHT-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds9

About 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine

4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine (PubChem CID 115513651) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
PubChem CID115513651
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine
SMILESCC(C)CCOCCNCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2)4-8-16-9-7-15-6-3-5-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyULIYAPAMIFNTHT-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]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

Related Compounds

4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 61483947
5-chloro-N-[2-(3-methylbutoxy)ethyl]pentan-1-amine
CID 107319913
2-[2-(3-methylbutoxy)ethylamino]ethanol
CID 61483708
4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 106121614
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
4,4,4-trifluoro-N-(2-methylpropoxy)butan-1-amine
CID 82714513
N-(3-ethoxypropyl)-4,4,4-trifluorobutan-1-amine
CID 115513495
3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
CID 103605804
3-ethoxy-N-[2-(3,3,3-trifluoropropoxy)ethyl]propan-1-amine
CID 82958428
N',N'-dimethyl-N-[2-(3,3,3-trifluoropropoxy)ethyl]propane-1,3-diamine
CID 82957153
N-ethyl-2-[2-[2-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 155459726

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine (CID 115513651) is 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine is CC(C)CCOCCNCCCC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
The InChIKey is ULIYAPAMIFNTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2)4-8-16-9-7-15-6-3-5-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine?
4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[2-(3-methylbutoxy)ethyl]butan-1-amine is sourced from PubChem (CID 115513651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).