1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine

C11H21F2N — CID 90181204

IUPAC1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C11H21F2N/c1-8(2)9-6-11(12,13)7-14(9)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyJDRISYCSCSBTKI-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.15
Rot. Bonds1

About 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine

1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine (PubChem CID 90181204) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine
PubChem CID90181204
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC Name1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine
SMILESCC(C)C1CC(F)(F)CN1C(C)(C)C
InChIInChI=1S/C11H21F2N/c1-8(2)9-6-11(12,13)7-14(9)10(3,4)5/h8-9H,6-7H2,1-5H3
InChIKeyJDRISYCSCSBTKI-UHFFFAOYSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyl-2-(1-methylethyl)pyrrolidine
CID 264798
3-(3-Fluoropropyl)-1-methylpyrrolidine
CID 18723118
1,2,2-Trimethyl-4-(trifluoromethyl)pyrrolidine
CID 21025949
4,4-Difluoro-1,2,2-trimethylpyrrolidine
CID 21025962
2-Tert-butyl-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 22972511
(2R)-1-(fluoromethyl)-2-(2-methylpropyl)pyrrolidine
CID 57733761
1,2-Ditert-butyl-4-fluoropyrrolidine
CID 58185605
1,2-Ditert-butyl-4,4-difluoropyrrolidine
CID 58185622
4-(Difluoromethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 58195216
(2R)-1-(2-fluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279604
(2R,4R)-1-ethyl-4-fluoro-2-(2-methylpropyl)pyrrolidine
CID 58279607
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine?
The IUPAC name of 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine (CID 90181204) is 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine?
The canonical SMILES for 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine is CC(C)C1CC(F)(F)CN1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine?
The InChIKey is JDRISYCSCSBTKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-8(2)9-6-11(12,13)7-14(9)10(3,4)5/h8-9H,6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine?
1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine has a molecular weight of 205.29 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,4-difluoro-2-propan-2-ylpyrrolidine is sourced from PubChem (CID 90181204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).