6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

C11H22F3NO2 — CID 103148411

IUPAC6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCNC(CCOCC(F)(F)F)C(C)CCOC
InChIInChI=1S/C11H22F3NO2/c1-9(4-6-16-3)10(15-2)5-7-17-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyVRMCVKIMZZGDHN-UHFFFAOYSA-N
MW257.30 g/mol
LogP2.22
Rot. Bonds9

About 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine

6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 103148411) has the molecular formula C11H22F3NO2 and a molecular weight of 257.30 g/mol. Its IUPAC name is 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID103148411
Molecular FormulaC11H22F3NO2
Molecular Weight257.30 g/mol
Exact Mass257.16
IUPAC Name6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCNC(CCOCC(F)(F)F)C(C)CCOC
InChIInChI=1S/C11H22F3NO2/c1-9(4-6-16-3)10(15-2)5-7-17-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3
InChIKeyVRMCVKIMZZGDHN-UHFFFAOYSA-N
XLogP2.22
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 52.22
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 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 103148411) is 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is CNC(CCOCC(F)(F)F)C(C)CCOC.
What is the InChIKey of 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is VRMCVKIMZZGDHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO2/c1-9(4-6-16-3)10(15-2)5-7-17-8-11(12,13)14/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine?
6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 257.30 g/mol, XLogP of 2.22, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N,4-dimethyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 103148411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).