3-(3-fluorobutoxy)-3-methylbutan-1-amine

C9H20FNO — CID 138717479

IUPAC3-(3-fluorobutoxy)-3-methylbutan-1-amine
SMILESCC(F)CCOC(C)(C)CCN
InChIInChI=1S/C9H20FNO/c1-8(10)4-7-12-9(2,3)5-6-11/h8H,4-7,11H2,1-3H3
InChIKeyQTUVMPOWHMLMDS-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.88
Rot. Bonds6

About 3-(3-fluorobutoxy)-3-methylbutan-1-amine

3-(3-fluorobutoxy)-3-methylbutan-1-amine (PubChem CID 138717479) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 3-(3-fluorobutoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name3-(3-fluorobutoxy)-3-methylbutan-1-amine
PubChem CID138717479
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name3-(3-fluorobutoxy)-3-methylbutan-1-amine
SMILESCC(F)CCOC(C)(C)CCN
InChIInChI=1S/C9H20FNO/c1-8(10)4-7-12-9(2,3)5-6-11/h8H,4-7,11H2,1-3H3
InChIKeyQTUVMPOWHMLMDS-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorobutoxy)-3-methylbutan-1-amine?
The IUPAC name of 3-(3-fluorobutoxy)-3-methylbutan-1-amine (CID 138717479) is 3-(3-fluorobutoxy)-3-methylbutan-1-amine.
What is the SMILES notation for 3-(3-fluorobutoxy)-3-methylbutan-1-amine?
The canonical SMILES for 3-(3-fluorobutoxy)-3-methylbutan-1-amine is CC(F)CCOC(C)(C)CCN.
What is the InChIKey of 3-(3-fluorobutoxy)-3-methylbutan-1-amine?
The InChIKey is QTUVMPOWHMLMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-8(10)4-7-12-9(2,3)5-6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 3-(3-fluorobutoxy)-3-methylbutan-1-amine?
3-(3-fluorobutoxy)-3-methylbutan-1-amine has a molecular weight of 177.26 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorobutoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 138717479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).