2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine

C11H22F3N — CID 83143358

IUPAC2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
SMILESCC(CNCCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3N/c1-9(10(2,3)4)8-15-7-5-6-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyGXWUGTMYUVCASQ-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.60
Rot. Bonds5

About 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine

2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine (PubChem CID 83143358) 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-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
PubChem CID83143358
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Name2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine
SMILESCC(CNCCCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3N/c1-9(10(2,3)4)8-15-7-5-6-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyGXWUGTMYUVCASQ-UHFFFAOYSA-N
XLogP3.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.60
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-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine (CID 83143358) is 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine is CC(CNCCCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
The InChIKey is GXWUGTMYUVCASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N/c1-9(10(2,3)4)8-15-7-5-6-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine?
2,3,3-trimethyl-N-(4,4,4-trifluorobutyl)butan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.60, 5 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-1-amine is sourced from PubChem (CID 83143358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).