2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide

C8H10F6N2O4 — CID 21286260

IUPAC2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide
SMILESO=C(NCC(F)(F)F)C(O)C(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F6N2O4/c9-7(10,11)1-15-5(19)3(17)4(18)6(20)16-2-8(12,13)14/h3-4,17-18H,1-2H2,(H,15,19)(H,16,20)
InChIKeyAGWRQANIGHSNQO-UHFFFAOYSA-N
MW312.17 g/mol
LogP-0.93
Rot. Bonds5

About 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide

2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide (PubChem CID 21286260) has the molecular formula C8H10F6N2O4 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide.

Molecular Properties

Compound Name2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide
PubChem CID21286260
Molecular FormulaC8H10F6N2O4
Molecular Weight312.17 g/mol
Exact Mass312.05
IUPAC Name2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide
SMILESO=C(NCC(F)(F)F)C(O)C(O)C(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F6N2O4/c9-7(10,11)1-15-5(19)3(17)4(18)6(20)16-2-8(12,13)14/h3-4,17-18H,1-2H2,(H,15,19)(H,16,20)
InChIKeyAGWRQANIGHSNQO-UHFFFAOYSA-N
XLogP-0.93
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 5-0.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide?
The IUPAC name of 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide (CID 21286260) is 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide.
What is the SMILES notation for 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide?
The canonical SMILES for 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide is O=C(NCC(F)(F)F)C(O)C(O)C(=O)NCC(F)(F)F.
What is the InChIKey of 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is AGWRQANIGHSNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O4/c9-7(10,11)1-15-5(19)3(17)4(18)6(20)16-2-8(12,13)14/h3-4,17-18H,1-2H2,(H,15,19)(H,16,20).
What are the key properties of 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide?
2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide has a molecular weight of 312.17 g/mol, XLogP of -0.93, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-N,N'-bis(2,2,2-trifluoroethyl)butanediamide is sourced from PubChem (CID 21286260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).