2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C11H22F3NO — CID 83139778

IUPAC2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)(C)C(CN)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(7-15)5-4-6-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyONKQLEOPATZYNV-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.97
Rot. Bonds6

About 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83139778) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83139778
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)(C)C(CN)CCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-10(2,3)9(7-15)5-4-6-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyONKQLEOPATZYNV-UHFFFAOYSA-N
XLogP2.97
TPSA35.25 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 ≤ 52.97
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-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83139778) is 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(C)(C)C(CN)CCCOCC(F)(F)F.
What is the InChIKey of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is ONKQLEOPATZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-10(2,3)9(7-15)5-4-6-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3.
What are the key properties of 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 241.30 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83139778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).