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

C8H6F11NO3 — CID 86641009

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide
SMILESO=C(NCCO)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F11NO3/c9-4(6(12,13)14,3(22)20-1-2-21)23-8(18,19)5(10,11)7(15,16)17/h21H,1-2H2,(H,20,22)
InChIKeyOMNDMPVDPPWECC-UHFFFAOYSA-N
MW373.12 g/mol
LogP2.13
Rot. Bonds6

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

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide (PubChem CID 86641009) has the molecular formula C8H6F11NO3 and a molecular weight of 373.12 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide
PubChem CID86641009
Molecular FormulaC8H6F11NO3
Molecular Weight373.12 g/mol
Exact Mass373.02
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide
SMILESO=C(NCCO)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H6F11NO3/c9-4(6(12,13)14,3(22)20-1-2-21)23-8(18,19)5(10,11)7(15,16)17/h21H,1-2H2,(H,20,22)
InChIKeyOMNDMPVDPPWECC-UHFFFAOYSA-N
XLogP2.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.12
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide (CID 86641009) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide is O=C(NCCO)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide?
The InChIKey is OMNDMPVDPPWECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F11NO3/c9-4(6(12,13)14,3(22)20-1-2-21)23-8(18,19)5(10,11)7(15,16)17/h21H,1-2H2,(H,20,22).
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide has a molecular weight of 373.12 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 86641009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).