4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine

C9H17FN2 — CID 130538852

IUPAC4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)C1C=CCN1
InChIInChI=1S/C9H17FN2/c1-9(2,11)6-7(10)8-4-3-5-12-8/h3-4,7-8,12H,5-6,11H2,1-2H3
InChIKeySOEGZJDXWHIVCL-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.98
Rot. Bonds3

About 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine

4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine (PubChem CID 130538852) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine
PubChem CID130538852
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC Name4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine
SMILESCC(C)(N)CC(F)C1C=CCN1
InChIInChI=1S/C9H17FN2/c1-9(2,11)6-7(10)8-4-3-5-12-8/h3-4,7-8,12H,5-6,11H2,1-2H3
InChIKeySOEGZJDXWHIVCL-UHFFFAOYSA-N
XLogP0.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine?
The IUPAC name of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine (CID 130538852) is 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine.
What is the SMILES notation for 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine?
The canonical SMILES for 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine is CC(C)(N)CC(F)C1C=CCN1.
What is the InChIKey of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine?
The InChIKey is SOEGZJDXWHIVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c1-9(2,11)6-7(10)8-4-3-5-12-8/h3-4,7-8,12H,5-6,11H2,1-2H3.
What are the key properties of 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine?
4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine has a molecular weight of 172.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dihydro-1H-pyrrol-2-yl)-4-fluoro-2-methylbutan-2-amine is sourced from PubChem (CID 130538852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).