2-tert-butyl-4-fluoro-1-methylpyrrolidine

C9H18FN — CID 147178923

IUPAC2-tert-butyl-4-fluoro-1-methylpyrrolidine
SMILESCN1CC(F)CC1C(C)(C)C
InChIInChI=1S/C9H18FN/c1-9(2,3)8-5-7(10)6-11(8)4/h7-8H,5-6H2,1-4H3
InChIKeyBZEPQHSGMCYAFI-UHFFFAOYSA-N
MW159.25 g/mol
LogP2.07
Rot. Bonds

About 2-tert-butyl-4-fluoro-1-methylpyrrolidine

2-tert-butyl-4-fluoro-1-methylpyrrolidine (PubChem CID 147178923) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is 2-tert-butyl-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-4-fluoro-1-methylpyrrolidine
PubChem CID147178923
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name2-tert-butyl-4-fluoro-1-methylpyrrolidine
SMILESCN1CC(F)CC1C(C)(C)C
InChIInChI=1S/C9H18FN/c1-9(2,3)8-5-7(10)6-11(8)4/h7-8H,5-6H2,1-4H3
InChIKeyBZEPQHSGMCYAFI-UHFFFAOYSA-N
XLogP2.07
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.07
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-methylpyrrolidine?
The IUPAC name of 2-tert-butyl-4-fluoro-1-methylpyrrolidine (CID 147178923) is 2-tert-butyl-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for 2-tert-butyl-4-fluoro-1-methylpyrrolidine is CN1CC(F)CC1C(C)(C)C.
What is the InChIKey of 2-tert-butyl-4-fluoro-1-methylpyrrolidine?
The InChIKey is BZEPQHSGMCYAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN/c1-9(2,3)8-5-7(10)6-11(8)4/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-4-fluoro-1-methylpyrrolidine?
2-tert-butyl-4-fluoro-1-methylpyrrolidine has a molecular weight of 159.25 g/mol, XLogP of 2.07, 0 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-methylpyrrolidine is sourced from PubChem (CID 147178923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).