4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C15H20F2N2O4 — CID 118208243

IUPAC4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CC(N2CCCC2=O)C(F)(F)CC1N1CCCC1=O
InChIInChI=1S/C15H20F2N2O4/c16-15(17)8-10(18-5-1-3-12(18)20)9(14(22)23)7-11(15)19-6-2-4-13(19)21/h9-11H,1-8H2,(H,22,23)
InChIKeyGFSMOGCFZQJSDM-UHFFFAOYSA-N
MW330.33 g/mol
LogP1.10
Rot. Bonds3

About 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 118208243) has the molecular formula C15H20F2N2O4 and a molecular weight of 330.33 g/mol. Its IUPAC name is 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID118208243
Molecular FormulaC15H20F2N2O4
Molecular Weight330.33 g/mol
Exact Mass330.14
IUPAC Name4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CC(N2CCCC2=O)C(F)(F)CC1N1CCCC1=O
InChIInChI=1S/C15H20F2N2O4/c16-15(17)8-10(18-5-1-3-12(18)20)9(14(22)23)7-11(15)19-6-2-4-13(19)21/h9-11H,1-8H2,(H,22,23)
InChIKeyGFSMOGCFZQJSDM-UHFFFAOYSA-N
XLogP1.10
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 118208243) is 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is O=C(O)C1CC(N2CCCC2=O)C(F)(F)CC1N1CCCC1=O.
What is the InChIKey of 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is GFSMOGCFZQJSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O4/c16-15(17)8-10(18-5-1-3-12(18)20)9(14(22)23)7-11(15)19-6-2-4-13(19)21/h9-11H,1-8H2,(H,22,23).
What are the key properties of 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 330.33 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,5-bis(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118208243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).