2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide

C10H16F4N2O2 — CID 4176785

IUPAC2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)C
InChIInChI=1S/C10H16F4N2O2/c1-5(2)15-7(17)9(11,12)10(13,14)8(18)16-6(3)4/h5-6H,1-4H3,(H,15,17)(H,16,18)
InChIKeyKYMJEGNRBUDLRK-UHFFFAOYSA-N
MW272.24 g/mol
LogP1.31
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide

2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide (PubChem CID 4176785) has the molecular formula C10H16F4N2O2 and a molecular weight of 272.24 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide
PubChem CID4176785
Molecular FormulaC10H16F4N2O2
Molecular Weight272.24 g/mol
Exact Mass272.11
IUPAC Name2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide
SMILESCC(C)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)C
InChIInChI=1S/C10H16F4N2O2/c1-5(2)15-7(17)9(11,12)10(13,14)8(18)16-6(3)4/h5-6H,1-4H3,(H,15,17)(H,16,18)
InChIKeyKYMJEGNRBUDLRK-UHFFFAOYSA-N
XLogP1.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.24
LogP ≤ 51.31
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'-di(propan-2-yl)butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide (CID 4176785) is 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide is CC(C)NC(=O)C(F)(F)C(F)(F)C(=O)NC(C)C.
What is the InChIKey of 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide?
The InChIKey is KYMJEGNRBUDLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F4N2O2/c1-5(2)15-7(17)9(11,12)10(13,14)8(18)16-6(3)4/h5-6H,1-4H3,(H,15,17)(H,16,18).
What are the key properties of 2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide?
2,2,3,3-tetrafluoro-N,N'-di(propan-2-yl)butanediamide has a molecular weight of 272.24 g/mol, XLogP of 1.31, 5 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'-di(propan-2-yl)butanediamide is sourced from PubChem (CID 4176785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).