1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine

C16H32F2N2 — CID 157050293

IUPAC1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1
InChIInChI=1S/C8H15F2N.C8H17N/c1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-6-4-5-7-9/h4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyAACTUOKSDQYNJQ-UHFFFAOYSA-N
MW290.44 g/mol
LogP4.01
Rot. Bonds

About 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine

1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine (PubChem CID 157050293) has the molecular formula C16H32F2N2 and a molecular weight of 290.44 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
PubChem CID157050293
Molecular FormulaC16H32F2N2
Molecular Weight290.44 g/mol
Exact Mass290.25
IUPAC Name1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1
InChIInChI=1S/C8H15F2N.C8H17N/c1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-6-4-5-7-9/h4-6H2,1-3H3;4-7H2,1-3H3
InChIKeyAACTUOKSDQYNJQ-UHFFFAOYSA-N
XLogP4.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-tert-butylpiperidine;1-tert-butylpyrrolidine;ethane
CID 160950375
1,6-ditert-butyl-1,6-diazacycloundecane
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1-tert-butylazepane;1-tert-butylpiperidine
CID 158450868
3,3-difluoro-1-(2-methylsulfanylpropan-2-yl)pyrrolidine
CID 146621230
1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;methane
CID 157282567
1-tert-butyl-3,3-dimethylpiperidine
CID 14356856
8-tert-butyl-8-azaspiro[4.5]decane;6-tert-butyl-6-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;5-tert-butyl-5-azaspiro[2.5]octane;6-tert-butyl-6-azaspiro[2.5]octane;2-tert-butyl-2-azaspiro[5.5]undecane;3-tert-butyl-3-azaspiro[5.5]undecane
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(1-tert-butyl-4-fluoroazepan-4-yl)methanamine
CID 115022739
2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
CID 167549222
1-[3-(azetidin-1-yl)-3-methylbutan-2-yl]-3,3-difluoropyrrolidine
CID 166786710
3,3-difluoro-1-(5-methylnonan-5-yl)pyrrolidine
CID 146621719
(1-tert-butyl-3-fluoropyrrolidin-3-yl)methanol
CID 90155876

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine (CID 157050293) is 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCC(F)(F)C1.CC(C)(C)N1CCCC1.
What is the InChIKey of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine?
The InChIKey is AACTUOKSDQYNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C8H17N/c1-7(2,3)11-5-4-8(9,10)6-11;1-8(2,3)9-6-4-5-7-9/h4-6H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine?
1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine has a molecular weight of 290.44 g/mol, XLogP of 4.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluoropyrrolidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 157050293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).