4-fluoro-2-propan-2-ylpyrrolidin-1-amine

C7H15FN2 — CID 123700241

IUPAC4-fluoro-2-propan-2-ylpyrrolidin-1-amine
SMILESCC(C)C1CC(F)CN1N
InChIInChI=1S/C7H15FN2/c1-5(2)7-3-6(8)4-10(7)9/h5-7H,3-4,9H2,1-2H3
InChIKeyFDFGYEWYOITPTQ-UHFFFAOYSA-N
MW146.21 g/mol
LogP0.93
Rot. Bonds1

About 4-fluoro-2-propan-2-ylpyrrolidin-1-amine

4-fluoro-2-propan-2-ylpyrrolidin-1-amine (PubChem CID 123700241) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 4-fluoro-2-propan-2-ylpyrrolidin-1-amine.

Molecular Properties

Compound Name4-fluoro-2-propan-2-ylpyrrolidin-1-amine
PubChem CID123700241
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name4-fluoro-2-propan-2-ylpyrrolidin-1-amine
SMILESCC(C)C1CC(F)CN1N
InChIInChI=1S/C7H15FN2/c1-5(2)7-3-6(8)4-10(7)9/h5-7H,3-4,9H2,1-2H3
InChIKeyFDFGYEWYOITPTQ-UHFFFAOYSA-N
XLogP0.93
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-propan-2-ylpyrrolidin-1-amine?
The IUPAC name of 4-fluoro-2-propan-2-ylpyrrolidin-1-amine (CID 123700241) is 4-fluoro-2-propan-2-ylpyrrolidin-1-amine.
What is the SMILES notation for 4-fluoro-2-propan-2-ylpyrrolidin-1-amine?
The canonical SMILES for 4-fluoro-2-propan-2-ylpyrrolidin-1-amine is CC(C)C1CC(F)CN1N.
What is the InChIKey of 4-fluoro-2-propan-2-ylpyrrolidin-1-amine?
The InChIKey is FDFGYEWYOITPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15FN2/c1-5(2)7-3-6(8)4-10(7)9/h5-7H,3-4,9H2,1-2H3.
What are the key properties of 4-fluoro-2-propan-2-ylpyrrolidin-1-amine?
4-fluoro-2-propan-2-ylpyrrolidin-1-amine has a molecular weight of 146.21 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-propan-2-ylpyrrolidin-1-amine is sourced from PubChem (CID 123700241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).