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

C13H10F17NO5 — CID 134694592

IUPAC2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N,N-bis(2-hydroxyethyl)propanamide
SMILESO=C(N(CCO)CCO)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/C13H10F17NO5/c14-6(9(18,19)20,5(34)31(1-3-32)2-4-33)35-13(29,30)8(17,11(24,25)26)36-12(27,28)7(15,16)10(21,22)23/h32-33H,1-4H2
InChIKeyBDTZBAUVODUZNE-UHFFFAOYSA-N
MW583.19 g/mol
LogP3.67
Rot. Bonds11

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,N-bis(2-hydroxyethyl)propanamide

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N,N-bis(2-hydroxyethyl)propanamide (PubChem CID 134694592) has the molecular formula C13H10F17NO5 and a molecular weight of 583.19 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,N-bis(2-hydroxyethyl)propanamide.

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,N-bis(2-hydroxyethyl)propanamide
PubChem CID134694592
Molecular FormulaC13H10F17NO5
Molecular Weight583.19 g/mol
Exact Mass583.03
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,N-bis(2-hydroxyethyl)propanamide
SMILESO=C(N(CCO)CCO)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/C13H10F17NO5/c14-6(9(18,19)20,5(34)31(1-3-32)2-4-33)35-13(29,30)8(17,11(24,25)26)36-12(27,28)7(15,16)10(21,22)23/h32-33H,1-4H2
InChIKeyBDTZBAUVODUZNE-UHFFFAOYSA-N
XLogP3.67
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.19
LogP ≤ 53.67
H-Bond Donors ≤ 52
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 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N,N-bis(2-hydroxyethyl)propanamide?
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,N-bis(2-hydroxyethyl)propanamide (CID 134694592) 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,N-bis(2-hydroxyethyl)propanamide.
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,N-bis(2-hydroxyethyl)propanamide?
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,N-bis(2-hydroxyethyl)propanamide is O=C(N(CCO)CCO)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,N-bis(2-hydroxyethyl)propanamide?
The InChIKey is BDTZBAUVODUZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F17NO5/c14-6(9(18,19)20,5(34)31(1-3-32)2-4-33)35-13(29,30)8(17,11(24,25)26)36-12(27,28)7(15,16)10(21,22)23/h32-33H,1-4H2.
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,N-bis(2-hydroxyethyl)propanamide?
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N,N-bis(2-hydroxyethyl)propanamide has a molecular weight of 583.19 g/mol, XLogP of 3.67, 11 rotatable bonds, 2 hydrogen bond donors, and 5 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,N-bis(2-hydroxyethyl)propanamide is sourced from PubChem (CID 134694592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).