2-butan-2-yl-4-fluoro-1-propylpyrrolidine

C11H22FN — CID 129229298

IUPAC2-butan-2-yl-4-fluoro-1-propylpyrrolidine
SMILESCCCN1CC(F)CC1C(C)CC
InChIInChI=1S/C11H22FN/c1-4-6-13-8-10(12)7-11(13)9(3)5-2/h9-11H,4-8H2,1-3H3
InChIKeyGQMOETWCWRWSFV-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.85
Rot. Bonds4

About 2-butan-2-yl-4-fluoro-1-propylpyrrolidine

2-butan-2-yl-4-fluoro-1-propylpyrrolidine (PubChem CID 129229298) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-butan-2-yl-4-fluoro-1-propylpyrrolidine.

Molecular Properties

Compound Name2-butan-2-yl-4-fluoro-1-propylpyrrolidine
PubChem CID129229298
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-butan-2-yl-4-fluoro-1-propylpyrrolidine
SMILESCCCN1CC(F)CC1C(C)CC
InChIInChI=1S/C11H22FN/c1-4-6-13-8-10(12)7-11(13)9(3)5-2/h9-11H,4-8H2,1-3H3
InChIKeyGQMOETWCWRWSFV-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-4-fluoro-1-propylpyrrolidine?
The IUPAC name of 2-butan-2-yl-4-fluoro-1-propylpyrrolidine (CID 129229298) is 2-butan-2-yl-4-fluoro-1-propylpyrrolidine.
What is the SMILES notation for 2-butan-2-yl-4-fluoro-1-propylpyrrolidine?
The canonical SMILES for 2-butan-2-yl-4-fluoro-1-propylpyrrolidine is CCCN1CC(F)CC1C(C)CC.
What is the InChIKey of 2-butan-2-yl-4-fluoro-1-propylpyrrolidine?
The InChIKey is GQMOETWCWRWSFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-4-6-13-8-10(12)7-11(13)9(3)5-2/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-butan-2-yl-4-fluoro-1-propylpyrrolidine?
2-butan-2-yl-4-fluoro-1-propylpyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-4-fluoro-1-propylpyrrolidine is sourced from PubChem (CID 129229298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).