2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine

C11H22F3N — CID 58297165

IUPAC2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine
SMILESCC(C)(C)C(C)(C)NCCCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2,3)10(4,5)15-8-6-7-11(12,13)14/h15H,6-8H2,1-5H3
InChIKeyZVOCFRJQEHWBPZ-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.74
Rot. Bonds4

About 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine

2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine (PubChem CID 58297165) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine
PubChem CID58297165
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine
SMILESCC(C)(C)C(C)(C)NCCCC(F)(F)F
InChIInChI=1S/C11H22F3N/c1-9(2,3)10(4,5)15-8-6-7-11(12,13)14/h15H,6-8H2,1-5H3
InChIKeyZVOCFRJQEHWBPZ-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
The IUPAC name of 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine (CID 58297165) is 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine is CC(C)(C)C(C)(C)NCCCC(F)(F)F.
What is the InChIKey of 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
The InChIKey is ZVOCFRJQEHWBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-9(2,3)10(4,5)15-8-6-7-11(12,13)14/h15H,6-8H2,1-5H3.
What are the key properties of 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine?
2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine has a molecular weight of 225.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-2-amine is sourced from PubChem (CID 58297165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).