1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine

C10H19F2N — CID 58530396

IUPAC1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine
SMILESCC(C)(C)CCN1CCC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-9(2,3)4-6-13-7-5-10(11,12)8-13/h4-8H2,1-3H3
InChIKeyNQYBASKSIJZVHK-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.76
Rot. Bonds2

About 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine

1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine (PubChem CID 58530396) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine.

Molecular Properties

Compound Name1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine
PubChem CID58530396
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine
SMILESCC(C)(C)CCN1CCC(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-9(2,3)4-6-13-7-5-10(11,12)8-13/h4-8H2,1-3H3
InChIKeyNQYBASKSIJZVHK-UHFFFAOYSA-N
XLogP2.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-Difluoro-1,3,3-trimethylpyrrolidine
CID 10329427
1-(1,1-Difluoro-2,2-dimethylpropyl)pyrrolidine
CID 101453500
2,2,3,4,5,5-Hexafluoro-3,4-dimethyl-1-propylpyrrolidine
CID 22253783
1-Methyl-1-(4,4,4-trifluorobutyl)pyrrolidin-1-ium iodide
CID 44229486
(3S)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
CID 57639847
3,3-Difluoro-1-methanidylpyrrolidine;2-methylpropane;tungsten(2+)
CID 57749482
(3S)-1-(2,2-dimethylpropyl)-3-fluoropyrrolidine
CID 57910798
(3R)-1-(2,2-difluoroethyl)-3-methylpyrrolidine
CID 57973918
1-(4,4-Dimethylpentyl)-3,3-difluoropyrrolidine
CID 57979610
3-Fluoro-3-methyl-1-(3-methylbutyl)pyrrolidine
CID 58107305
1-(2,2-Dimethylpropyl)-3-fluoro-3-methylpyrrolidine
CID 58266757
1-(2,2-Difluoroethyl)-3-methylpyrrolidine
CID 58279612

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine?
The IUPAC name of 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine (CID 58530396) is 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine.
What is the SMILES notation for 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine?
The canonical SMILES for 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine is CC(C)(C)CCN1CCC(F)(F)C1.
What is the InChIKey of 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine?
The InChIKey is NQYBASKSIJZVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-9(2,3)4-6-13-7-5-10(11,12)8-13/h4-8H2,1-3H3.
What are the key properties of 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine?
1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine has a molecular weight of 191.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethylbutyl)-3,3-difluoropyrrolidine is sourced from PubChem (CID 58530396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).