2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide

C24H28F4N2O2 — CID 4292225

IUPAC2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide
SMILESCC(CCc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C24H28F4N2O2/c1-17(13-15-19-9-5-3-6-10-19)29-21(31)23(25,26)24(27,28)22(32)30-18(2)14-16-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeySEUOWIWTUGRSNV-UHFFFAOYSA-N
MW452.49 g/mol
LogP4.53
Rot. Bonds11

About 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide

2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide (PubChem CID 4292225) has the molecular formula C24H28F4N2O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide
PubChem CID4292225
Molecular FormulaC24H28F4N2O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC Name2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide
SMILESCC(CCc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)CCc1ccccc1
InChIInChI=1S/C24H28F4N2O2/c1-17(13-15-19-9-5-3-6-10-19)29-21(31)23(25,26)24(27,28)22(32)30-18(2)14-16-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)(H,30,32)
InChIKeySEUOWIWTUGRSNV-UHFFFAOYSA-N
XLogP4.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide (CID 4292225) is 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide is CC(CCc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)CCc1ccccc1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide?
The InChIKey is SEUOWIWTUGRSNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F4N2O2/c1-17(13-15-19-9-5-3-6-10-19)29-21(31)23(25,26)24(27,28)22(32)30-18(2)14-16-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide has a molecular weight of 452.49 g/mol, XLogP of 4.53, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N,N'-bis(4-phenylbutan-2-yl)butanediamide is sourced from PubChem (CID 4292225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).