3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane

C10H20F2N2O — CID 164555762

IUPAC3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
SMILESCC.CCCNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O.C2H6/c1-2-4-11-7(13)12-5-3-8(9,10)6-12;1-2/h2-6H2,1H3,(H,11,13);1-2H3
InChIKeyVBEOHOPUEDLMGQ-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.47
Rot. Bonds2

About 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane

3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane (PubChem CID 164555762) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
PubChem CID164555762
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane
SMILESCC.CCCNC(=O)N1CCC(F)(F)C1
InChIInChI=1S/C8H14F2N2O.C2H6/c1-2-4-11-7(13)12-5-3-8(9,10)6-12;1-2/h2-6H2,1H3,(H,11,13);1-2H3
InChIKeyVBEOHOPUEDLMGQ-UHFFFAOYSA-N
XLogP2.47
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-Dimethyl-1-(4-pyrrolidin-1-yl-but-2-ynyl)-urea
CID 15669683
1-Pyrrolidinecarboxamide, N-butyl-
CID 11789651
3-Ethyl-1-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)urea
CID 15167049
1-Ethyl-3-methyl-1-(4-pyrrolidin-1-ylbut-2-ynyl)urea
CID 15167051
N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 57968813
N-(butan-2-yl)pyrrolidine-1-carboxamide
CID 17217776
2,2-dimethyl-N-(4,4,4-trifluorobutyl)pyrrolidine-1-carboxamide
CID 121525649
N-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)pyrrolidine-1-carboxamide
CID 11521966
1-(4,4,4-Trifluorobutyl)imidazolidin-2-one
CID 54153630
5-(2,2-Difluoroethyl)-1-methylimidazolidin-2-one
CID 67253649
4-(2,2-Difluoroethyl)-1-methylimidazolidin-2-one
CID 67255831
N-(1,1,1,3,3-pentafluoro-2-methylbutan-2-yl)pyrrolidine-1-carboxamide
CID 71046487

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane?
The IUPAC name of 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane (CID 164555762) is 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane.
What is the SMILES notation for 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane?
The canonical SMILES for 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane is CC.CCCNC(=O)N1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane?
The InChIKey is VBEOHOPUEDLMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O.C2H6/c1-2-4-11-7(13)12-5-3-8(9,10)6-12;1-2/h2-6H2,1H3,(H,11,13);1-2H3.
What are the key properties of 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane?
3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane has a molecular weight of 222.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-propylpyrrolidine-1-carboxamide;ethane is sourced from PubChem (CID 164555762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).