N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

C9H8F11NO4 — CID 134694500

IUPACN-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESO=C(NCC(O)CO)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F11NO4/c10-5(7(13,14)15,4(24)21-1-3(23)2-22)25-9(19,20)6(11,12)8(16,17)18/h3,22-23H,1-2H2,(H,21,24)
InChIKeyHNRBBIFJSKNMKF-UHFFFAOYSA-N
MW403.14 g/mol
LogP1.49
Rot. Bonds7

About N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide

N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 134694500) has the molecular formula C9H8F11NO4 and a molecular weight of 403.14 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID134694500
Molecular FormulaC9H8F11NO4
Molecular Weight403.14 g/mol
Exact Mass403.03
IUPAC NameN-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESO=C(NCC(O)CO)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H8F11NO4/c10-5(7(13,14)15,4(24)21-1-3(23)2-22)25-9(19,20)6(11,12)8(16,17)18/h3,22-23H,1-2H2,(H,21,24)
InChIKeyHNRBBIFJSKNMKF-UHFFFAOYSA-N
XLogP1.49
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.14
LogP ≤ 51.49
H-Bond Donors ≤ 53
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 N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 134694500) is N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is O=C(NCC(O)CO)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is HNRBBIFJSKNMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F11NO4/c10-5(7(13,14)15,4(24)21-1-3(23)2-22)25-9(19,20)6(11,12)8(16,17)18/h3,22-23H,1-2H2,(H,21,24).
What are the key properties of N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 403.14 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 134694500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).