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

C10H10F11NO2 — CID 71672900

IUPACN,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESCCN(CC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F11NO2/c1-3-22(4-2)5(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h3-4H2,1-2H3
InChIKeyJKPLZDRDWOXTIH-UHFFFAOYSA-N
MW385.17 g/mol
LogP3.89
Rot. Bonds6

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

N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (PubChem CID 71672900) has the molecular formula C10H10F11NO2 and a molecular weight of 385.17 g/mol. Its IUPAC name is N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.

Molecular Properties

Compound NameN,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
PubChem CID71672900
Molecular FormulaC10H10F11NO2
Molecular Weight385.17 g/mol
Exact Mass385.05
IUPAC NameN,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
SMILESCCN(CC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H10F11NO2/c1-3-22(4-2)5(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h3-4H2,1-2H3
InChIKeyJKPLZDRDWOXTIH-UHFFFAOYSA-N
XLogP3.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.17
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The IUPAC name of N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide (CID 71672900) is N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide.
What is the SMILES notation for N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The canonical SMILES for N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is CCN(CC)C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
The InChIKey is JKPLZDRDWOXTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F11NO2/c1-3-22(4-2)5(23)6(11,8(14,15)16)24-10(20,21)7(12,13)9(17,18)19/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide?
N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide has a molecular weight of 385.17 g/mol, XLogP of 3.89, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide is sourced from PubChem (CID 71672900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).