2-tert-butyl-3,3-difluoro-2-methylpyrrolidine

C9H17F2N — CID 83855284

IUPAC2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
SMILESCC(C)(C)C1(C)NCCC1(F)F
InChIInChI=1S/C9H17F2N/c1-7(2,3)8(4)9(10,11)5-6-12-8/h12H,5-6H2,1-4H3
InChIKeyIHLUSUMUNZCNIT-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.42
Rot. Bonds

About 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine

2-tert-butyl-3,3-difluoro-2-methylpyrrolidine (PubChem CID 83855284) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine.

Molecular Properties

Compound Name2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
PubChem CID83855284
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name2-tert-butyl-3,3-difluoro-2-methylpyrrolidine
SMILESCC(C)(C)C1(C)NCCC1(F)F
InChIInChI=1S/C9H17F2N/c1-7(2,3)8(4)9(10,11)5-6-12-8/h12H,5-6H2,1-4H3
InChIKeyIHLUSUMUNZCNIT-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-difluoro-2,2-dimethylpyrrolidine;hydrochloride
CID 115013960
2,2-difluoroazetidine
CID 68750416
4,4-difluoro-1-azaspiro[4.4]nonane
CID 83856346
2-cyclopentyl-4,4-difluoro-2-methylpiperidine
CID 115023054
(2S)-2-tert-butyl-2-methylpyrrolidine
CID 69164819
ethane;1-methylbicyclo[2.2.1]heptane
CID 164557496
3,3-difluoro-2,2-dimethylpiperidine;hydrochloride
CID 115017011
(3S)-3-tert-butyl-3-fluoropyrrolidine
CID 129375471
2-tert-butyl-2-methylpyrrolidine;hydrochloride
CID 115015040
1-tert-butyl-2,2-difluoro-7,7-dimethylbicyclo[2.2.1]heptane
CID 153310705
7,7-difluoro-1-azaspiro[3.3]heptane;hydrochloride
CID 155896929
tert-butyl 4,4-difluoro-1,8-diazaspiro[4.5]decane-8-carboxylate;hydrochloride
CID 115053505

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine?
The IUPAC name of 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine (CID 83855284) is 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine.
What is the SMILES notation for 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine?
The canonical SMILES for 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine is CC(C)(C)C1(C)NCCC1(F)F.
What is the InChIKey of 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine?
The InChIKey is IHLUSUMUNZCNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-7(2,3)8(4)9(10,11)5-6-12-8/h12H,5-6H2,1-4H3.
What are the key properties of 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine?
2-tert-butyl-3,3-difluoro-2-methylpyrrolidine has a molecular weight of 177.24 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3,3-difluoro-2-methylpyrrolidine is sourced from PubChem (CID 83855284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).