2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide

C12H8F17NO4 — CID 141317065

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F17NO4/c1-30(2-3-31)4(32)5(13,8(17,18)19)33-12(28,29)7(16,10(23,24)25)34-11(26,27)6(14,15)9(20,21)22/h31H,2-3H2,1H3
InChIKeyZKTMOLYDCDAYMX-UHFFFAOYSA-N
MW553.17 g/mol
LogP4.31
Rot. Bonds9

About 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide (PubChem CID 141317065) has the molecular formula C12H8F17NO4 and a molecular weight of 553.17 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide
PubChem CID141317065
Molecular FormulaC12H8F17NO4
Molecular Weight553.17 g/mol
Exact Mass553.02
IUPAC Name2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide
SMILESCN(CCO)C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H8F17NO4/c1-30(2-3-31)4(32)5(13,8(17,18)19)33-12(28,29)7(16,10(23,24)25)34-11(26,27)6(14,15)9(20,21)22/h31H,2-3H2,1H3
InChIKeyZKTMOLYDCDAYMX-UHFFFAOYSA-N
XLogP4.31
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.17
LogP ≤ 54.31
H-Bond Donors ≤ 51
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 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide (CID 141317065) is 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide is CN(CCO)C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide?
The InChIKey is ZKTMOLYDCDAYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F17NO4/c1-30(2-3-31)4(32)5(13,8(17,18)19)33-12(28,29)7(16,10(23,24)25)34-11(26,27)6(14,15)9(20,21)22/h31H,2-3H2,1H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide has a molecular weight of 553.17 g/mol, XLogP of 4.31, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)-N-methylpropanamide is sourced from PubChem (CID 141317065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).