2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide

C16H22F11NO2 — CID 2827946

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H22F11NO2/c1-3-5-7-9-28(10-8-6-4-2)11(29)12(17,14(20,21)22)30-16(26,27)13(18,19)15(23,24)25/h3-10H2,1-2H3
InChIKeyDRYDAELELFEVCH-UHFFFAOYSA-N
MW469.34 g/mol
LogP6.23
Rot. Bonds12

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide (PubChem CID 2827946) has the molecular formula C16H22F11NO2 and a molecular weight of 469.34 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide
PubChem CID2827946
Molecular FormulaC16H22F11NO2
Molecular Weight469.34 g/mol
Exact Mass469.15
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide
SMILESCCCCCN(CCCCC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C16H22F11NO2/c1-3-5-7-9-28(10-8-6-4-2)11(29)12(17,14(20,21)22)30-16(26,27)13(18,19)15(23,24)25/h3-10H2,1-2H3
InChIKeyDRYDAELELFEVCH-UHFFFAOYSA-N
XLogP6.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.34
LogP ≤ 56.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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,N-dipentylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide (CID 2827946) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide is CCCCCN(CCCCC)C(=O)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,N-dipentylpropanamide?
The InChIKey is DRYDAELELFEVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F11NO2/c1-3-5-7-9-28(10-8-6-4-2)11(29)12(17,14(20,21)22)30-16(26,27)13(18,19)15(23,24)25/h3-10H2,1-2H3.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N,N-dipentylpropanamide has a molecular weight of 469.34 g/mol, XLogP of 6.23, 12 rotatable bonds, 0 hydrogen bond donors, and 2 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,N-dipentylpropanamide is sourced from PubChem (CID 2827946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).