4-(4-fluorobutoxy)-N-methylbutan-1-amine

C9H20FNO — CID 129101679

IUPAC4-(4-fluorobutoxy)-N-methylbutan-1-amine
SMILESCNCCCCOCCCCF
InChIInChI=1S/C9H20FNO/c1-11-7-3-5-9-12-8-4-2-6-10/h11H,2-9H2,1H3
InChIKeyRSZRJTXZEHACBX-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.75
Rot. Bonds9

About 4-(4-fluorobutoxy)-N-methylbutan-1-amine

4-(4-fluorobutoxy)-N-methylbutan-1-amine (PubChem CID 129101679) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 4-(4-fluorobutoxy)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(4-fluorobutoxy)-N-methylbutan-1-amine
PubChem CID129101679
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name4-(4-fluorobutoxy)-N-methylbutan-1-amine
SMILESCNCCCCOCCCCF
InChIInChI=1S/C9H20FNO/c1-11-7-3-5-9-12-8-4-2-6-10/h11H,2-9H2,1H3
InChIKeyRSZRJTXZEHACBX-UHFFFAOYSA-N
XLogP1.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.75
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 4-(4-fluorobutoxy)-N-methylbutan-1-amine?
The IUPAC name of 4-(4-fluorobutoxy)-N-methylbutan-1-amine (CID 129101679) is 4-(4-fluorobutoxy)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(4-fluorobutoxy)-N-methylbutan-1-amine?
The canonical SMILES for 4-(4-fluorobutoxy)-N-methylbutan-1-amine is CNCCCCOCCCCF.
What is the InChIKey of 4-(4-fluorobutoxy)-N-methylbutan-1-amine?
The InChIKey is RSZRJTXZEHACBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-11-7-3-5-9-12-8-4-2-6-10/h11H,2-9H2,1H3.
What are the key properties of 4-(4-fluorobutoxy)-N-methylbutan-1-amine?
4-(4-fluorobutoxy)-N-methylbutan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.75, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorobutoxy)-N-methylbutan-1-amine is sourced from PubChem (CID 129101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).