5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine

C11H22F3NO — CID 62564787

IUPAC5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)4-5-10(3)15-6-7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyXQKIXGFVWTXAQJ-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.98
Rot. Bonds8

About 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine

5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine (PubChem CID 62564787) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine.

Molecular Properties

Compound Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
PubChem CID62564787
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine
SMILESCC(C)CCC(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-9(2)4-5-10(3)15-6-7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyXQKIXGFVWTXAQJ-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.98
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 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
The IUPAC name of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine (CID 62564787) is 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine.
What is the SMILES notation for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
The canonical SMILES for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine is CC(C)CCC(C)NCCOCC(F)(F)F.
What is the InChIKey of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
The InChIKey is XQKIXGFVWTXAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-9(2)4-5-10(3)15-6-7-16-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine?
5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine has a molecular weight of 241.30 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-2-amine is sourced from PubChem (CID 62564787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).