1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

C9H18F3NO2 — CID 115003128

IUPAC1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCOCCC(C)(N)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-8(13,3-5-14-2)4-6-15-7-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyNBFRDJAVXPEAGO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.71
Rot. Bonds7

About 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine

1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine (PubChem CID 115003128) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine.

Molecular Properties

Compound Name1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
PubChem CID115003128
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine
SMILESCOCCC(C)(N)CCOCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-8(13,3-5-14-2)4-6-15-7-9(10,11)12/h3-7,13H2,1-2H3
InChIKeyNBFRDJAVXPEAGO-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.71
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 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The IUPAC name of 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine (CID 115003128) is 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine.
What is the SMILES notation for 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The canonical SMILES for 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine is COCCC(C)(N)CCOCC(F)(F)F.
What is the InChIKey of 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
The InChIKey is NBFRDJAVXPEAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-8(13,3-5-14-2)4-6-15-7-9(10,11)12/h3-7,13H2,1-2H3.
What are the key properties of 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine?
1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine has a molecular weight of 229.24 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-methyl-5-(2,2,2-trifluoroethoxy)pentan-3-amine is sourced from PubChem (CID 115003128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).