N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine

C11H22F3NO2 — CID 62319648

IUPACN-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCNC(CCCCOCC(F)(F)F)COC
InChIInChI=1S/C11H22F3NO2/c1-3-15-10(8-16-2)6-4-5-7-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKZMDBMNWDMHLIP-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.36
Rot. Bonds10

About N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine

N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 62319648) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID62319648
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC NameN-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCNC(CCCCOCC(F)(F)F)COC
InChIInChI=1S/C11H22F3NO2/c1-3-15-10(8-16-2)6-4-5-7-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3
InChIKeyKZMDBMNWDMHLIP-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 62319648) is N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine is CCNC(CCCCOCC(F)(F)F)COC.
What is the InChIKey of N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is KZMDBMNWDMHLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-3-15-10(8-16-2)6-4-5-7-17-9-11(12,13)14/h10,15H,3-9H2,1-2H3.
What are the key properties of N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 257.30 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 62319648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).