1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine

C14H28FN — CID 126492644

IUPAC1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine
SMILESCC(C)(C)CCC1CC(F)CN1C(C)(C)C
InChIInChI=1S/C14H28FN/c1-13(2,3)8-7-12-9-11(15)10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyFKRVZEOWWFSWDN-UHFFFAOYSA-N
MW229.38 g/mol
LogP4.02
Rot. Bonds2

About 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine

1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine (PubChem CID 126492644) has the molecular formula C14H28FN and a molecular weight of 229.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine
PubChem CID126492644
Molecular FormulaC14H28FN
Molecular Weight229.38 g/mol
Exact Mass229.22
IUPAC Name1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine
SMILESCC(C)(C)CCC1CC(F)CN1C(C)(C)C
InChIInChI=1S/C14H28FN/c1-13(2,3)8-7-12-9-11(15)10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3
InChIKeyFKRVZEOWWFSWDN-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.38
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine?
The IUPAC name of 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine (CID 126492644) is 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine?
The canonical SMILES for 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine is CC(C)(C)CCC1CC(F)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine?
The InChIKey is FKRVZEOWWFSWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28FN/c1-13(2,3)8-7-12-9-11(15)10-16(12)14(4,5)6/h11-12H,7-10H2,1-6H3.
What are the key properties of 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine?
1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine has a molecular weight of 229.38 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(3,3-dimethylbutyl)-4-fluoropyrrolidine is sourced from PubChem (CID 126492644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).