2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide

C11H12F10N2O5 — CID 2852943

IUPAC2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)NCCO)C(F)(F)F
InChIInChI=1S/C11H12F10N2O5/c12-7(13,5(26)22-1-3-24)9(15,16)11(20,21)28-8(14,10(17,18)19)6(27)23-2-4-25/h24-25H,1-4H2,(H,22,26)(H,23,27)
InChIKeyLKTDHDVOURATOH-UHFFFAOYSA-N
MW442.21 g/mol
LogP0.31
Rot. Bonds10

About 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide

2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide (PubChem CID 2852943) has the molecular formula C11H12F10N2O5 and a molecular weight of 442.21 g/mol. Its IUPAC name is 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide
PubChem CID2852943
Molecular FormulaC11H12F10N2O5
Molecular Weight442.21 g/mol
Exact Mass442.06
IUPAC Name2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide
SMILESO=C(NCCO)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)NCCO)C(F)(F)F
InChIInChI=1S/C11H12F10N2O5/c12-7(13,5(26)22-1-3-24)9(15,16)11(20,21)28-8(14,10(17,18)19)6(27)23-2-4-25/h24-25H,1-4H2,(H,22,26)(H,23,27)
InChIKeyLKTDHDVOURATOH-UHFFFAOYSA-N
XLogP0.31
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.21
LogP ≤ 50.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide?
The IUPAC name of 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide (CID 2852943) is 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide.
What is the SMILES notation for 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide?
The canonical SMILES for 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide is O=C(NCCO)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)NCCO)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide?
The InChIKey is LKTDHDVOURATOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F10N2O5/c12-7(13,5(26)22-1-3-24)9(15,16)11(20,21)28-8(14,10(17,18)19)6(27)23-2-4-25/h24-25H,1-4H2,(H,22,26)(H,23,27).
What are the key properties of 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide?
2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide has a molecular weight of 442.21 g/mol, XLogP of 0.31, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4-hexafluoro-N-(2-hydroxyethyl)-4-[1,1,1,2-tetrafluoro-3-(2-hydroxyethylamino)-3-oxopropan-2-yl]oxybutanamide is sourced from PubChem (CID 2852943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).