2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

C11H22F3NO — CID 83141493

IUPAC2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCC(CNCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-9(10(2,3)4)7-15-5-6-16-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyCQPGDMYRUVPBBJ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.84
Rot. Bonds6

About 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine

2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (PubChem CID 83141493) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
PubChem CID83141493
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
SMILESCC(CNCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C11H22F3NO/c1-9(10(2,3)4)7-15-5-6-16-8-11(12,13)14/h9,15H,5-8H2,1-4H3
InChIKeyCQPGDMYRUVPBBJ-UHFFFAOYSA-N
XLogP2.84
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.84
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 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine (CID 83141493) is 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is CC(CNCCOCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
The InChIKey is CQPGDMYRUVPBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(10(2,3)4)7-15-5-6-16-8-11(12,13)14/h9,15H,5-8H2,1-4H3.
What are the key properties of 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine?
2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine is sourced from PubChem (CID 83141493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).