2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine

C11H22FN — CID 126704122

IUPAC2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)CC1C(C)(C)C
InChIInChI=1S/C11H22FN/c1-8(2)13-7-9(12)6-10(13)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyUIEXFKRBTDZJEI-UHFFFAOYSA-N
MW187.30 g/mol
LogP2.85
Rot. Bonds1

About 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine

2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine (PubChem CID 126704122) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
PubChem CID126704122
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine
SMILESCC(C)N1CC(F)CC1C(C)(C)C
InChIInChI=1S/C11H22FN/c1-8(2)13-7-9(12)6-10(13)11(3,4)5/h8-10H,6-7H2,1-5H3
InChIKeyUIEXFKRBTDZJEI-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
The IUPAC name of 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine (CID 126704122) is 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
The canonical SMILES for 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine is CC(C)N1CC(F)CC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
The InChIKey is UIEXFKRBTDZJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN/c1-8(2)13-7-9(12)6-10(13)11(3,4)5/h8-10H,6-7H2,1-5H3.
What are the key properties of 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine?
2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine has a molecular weight of 187.30 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-fluoro-1-propan-2-ylpyrrolidine is sourced from PubChem (CID 126704122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).