2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine

C9H18F3NO — CID 88934659

IUPAC2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
SMILESCC(C)C(C)(C)NCCOC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)8(3,4)13-5-6-14-9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyINEKEEKZTMTYDX-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.55
Rot. Bonds5

About 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine

2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine (PubChem CID 88934659) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
PubChem CID88934659
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
SMILESCC(C)C(C)(C)NCCOC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(2)8(3,4)13-5-6-14-9(10,11)12/h7,13H,5-6H2,1-4H3
InChIKeyINEKEEKZTMTYDX-UHFFFAOYSA-N
XLogP2.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.55
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 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine?
The IUPAC name of 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine (CID 88934659) is 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine is CC(C)C(C)(C)NCCOC(F)(F)F.
What is the InChIKey of 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine?
The InChIKey is INEKEEKZTMTYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(2)8(3,4)13-5-6-14-9(10,11)12/h7,13H,5-6H2,1-4H3.
What are the key properties of 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine?
2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine is sourced from PubChem (CID 88934659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).