5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine

C9H20FNO — CID 88916468

IUPAC5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine
SMILESCC(N)C(C)C(C)COCCF
InChIInChI=1S/C9H20FNO/c1-7(6-12-5-4-10)8(2)9(3)11/h7-9H,4-6,11H2,1-3H3
InChIKeyPODJYKPQMOYIGG-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.59
Rot. Bonds6

About 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine

5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine (PubChem CID 88916468) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine.

Molecular Properties

Compound Name5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine
PubChem CID88916468
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine
SMILESCC(N)C(C)C(C)COCCF
InChIInChI=1S/C9H20FNO/c1-7(6-12-5-4-10)8(2)9(3)11/h7-9H,4-6,11H2,1-3H3
InChIKeyPODJYKPQMOYIGG-UHFFFAOYSA-N
XLogP1.59
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.59
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-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine?
The IUPAC name of 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine (CID 88916468) is 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine.
What is the SMILES notation for 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine?
The canonical SMILES for 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine is CC(N)C(C)C(C)COCCF.
What is the InChIKey of 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine?
The InChIKey is PODJYKPQMOYIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-7(6-12-5-4-10)8(2)9(3)11/h7-9H,4-6,11H2,1-3H3.
What are the key properties of 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine?
5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine has a molecular weight of 177.26 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoroethoxy)-3,4-dimethylpentan-2-amine is sourced from PubChem (CID 88916468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).