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

C8H10F6N2O4 — CID 54289118

IUPAC2,3-dihydroxy-N',N'-bis(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)C(O)C(O)C(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H10F6N2O4/c9-7(10,11)1-16(2-8(12,13)14)6(20)4(18)3(17)5(15)19/h3-4,17-18H,1-2H2,(H2,15,19)
InChIKeyRWGHPWRKUIHCPZ-UHFFFAOYSA-N
MW312.17 g/mol
LogP-0.85
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 54289118) 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 CID54289118
Molecular FormulaC8H10F6N2O4
Molecular Weight312.17 g/mol
Exact Mass312.05
IUPAC Name2,3-dihydroxy-N',N'-bis(2,2,2-trifluoroethyl)butanediamide
SMILESNC(=O)C(O)C(O)C(=O)N(CC(F)(F)F)CC(F)(F)F
InChIInChI=1S/C8H10F6N2O4/c9-7(10,11)1-16(2-8(12,13)14)6(20)4(18)3(17)5(15)19/h3-4,17-18H,1-2H2,(H2,15,19)
InChIKeyRWGHPWRKUIHCPZ-UHFFFAOYSA-N
XLogP-0.85
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
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 54289118) 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 NC(=O)C(O)C(O)C(=O)N(CC(F)(F)F)CC(F)(F)F.
What is the InChIKey of 2,3-dihydroxy-N',N'-bis(2,2,2-trifluoroethyl)butanediamide?
The InChIKey is RWGHPWRKUIHCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O4/c9-7(10,11)1-16(2-8(12,13)14)6(20)4(18)3(17)5(15)19/h3-4,17-18H,1-2H2,(H2,15,19).
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 -0.85, 5 rotatable bonds, 3 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 54289118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).