2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide

C12H20F4N2O4 — CID 27055396

IUPAC2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide
SMILESCC[C@H](CO)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO
InChIInChI=1S/C12H20F4N2O4/c1-3-7(5-19)17-9(21)11(13,14)12(15,16)10(22)18-8(4-2)6-20/h7-8,19-20H,3-6H2,1-2H3,(H,17,21)(H,18,22)/t7-,8+
InChIKeyPASPZOXUCPYOIU-OCAPTIKFSA-N
MW332.29 g/mol
LogP0.03
Rot. Bonds9

About 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide

2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide (PubChem CID 27055396) has the molecular formula C12H20F4N2O4 and a molecular weight of 332.29 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide
PubChem CID27055396
Molecular FormulaC12H20F4N2O4
Molecular Weight332.29 g/mol
Exact Mass332.14
IUPAC Name2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide
SMILESCC[C@H](CO)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO
InChIInChI=1S/C12H20F4N2O4/c1-3-7(5-19)17-9(21)11(13,14)12(15,16)10(22)18-8(4-2)6-20/h7-8,19-20H,3-6H2,1-2H3,(H,17,21)(H,18,22)/t7-,8+
InChIKeyPASPZOXUCPYOIU-OCAPTIKFSA-N
XLogP0.03
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 50.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide (CID 27055396) is 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide is CC[C@H](CO)NC(=O)C(F)(F)C(F)(F)C(=O)N[C@@H](CC)CO.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide?
The InChIKey is PASPZOXUCPYOIU-OCAPTIKFSA-N. The full InChI is InChI=1S/C12H20F4N2O4/c1-3-7(5-19)17-9(21)11(13,14)12(15,16)10(22)18-8(4-2)6-20/h7-8,19-20H,3-6H2,1-2H3,(H,17,21)(H,18,22)/t7-,8+.
What are the key properties of 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide?
2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide has a molecular weight of 332.29 g/mol, XLogP of 0.03, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[(2S)-1-hydroxybutan-2-yl]-N'-[(2R)-1-hydroxybutan-2-yl]butanediamide is sourced from PubChem (CID 27055396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).