N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide

C15H11F15N2O4 — CID 91691816

IUPACN-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide
SMILESCC(=O)N(CCCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F15N2O4/c1-6(33)31(7(34)10(16,17)13(22,23)24)4-2-3-5-32(8(35)11(18,19)14(25,26)27)9(36)12(20,21)15(28,29)30/h2-5H2,1H3
InChIKeyIBMUXMDJFZHDRI-UHFFFAOYSA-N
MW568.23 g/mol
LogP4.09
Rot. Bonds8

About N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide

N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide (PubChem CID 91691816) has the molecular formula C15H11F15N2O4 and a molecular weight of 568.23 g/mol. Its IUPAC name is N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide.

Molecular Properties

Compound NameN-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide
PubChem CID91691816
Molecular FormulaC15H11F15N2O4
Molecular Weight568.23 g/mol
Exact Mass568.05
IUPAC NameN-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide
SMILESCC(=O)N(CCCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H11F15N2O4/c1-6(33)31(7(34)10(16,17)13(22,23)24)4-2-3-5-32(8(35)11(18,19)14(25,26)27)9(36)12(20,21)15(28,29)30/h2-5H2,1H3
InChIKeyIBMUXMDJFZHDRI-UHFFFAOYSA-N
XLogP4.09
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500568.23
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-Dibutyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 617533
N,N-Diethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 5051020
N,N-diethyl-2,2,3,3-tetrafluoropropanamide
CID 136233
N,N-Diethyl-2,3,3,3-tetrafluoropropionamide
CID 2774042
N-acetyl-N-(2,2-difluoroethyl)-2-methylpropanamide
CID 176437816
N,N-Diethyl-2,2-difluorobutanamide
CID 10877713
N,N-dibutyl-3,3,3-trifluoropropanamide
CID 11379443
N-Acetyl-2,2,2-trifluoro-N-(4-(2,2,2-trifluoro-N-(2,2,2-trifluoroacetyl)acetamido)butyl)acetamide
CID 91691560
Heptylamine, N,N-bis(pentafluoropropionyl)-
CID 91710273
N,N-Dibutyl-2,3,3,3-tetrafluoropropanamide
CID 11149554
N,N-diethyl-2,2,3,3,3-pentafluoropropanamide
CID 12647417
N,N-diethyl-4,4,4-trifluorobutanamide
CID 14324573

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide?
The IUPAC name of N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide (CID 91691816) is N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide.
What is the SMILES notation for N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide?
The canonical SMILES for N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide is CC(=O)N(CCCCN(C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide?
The InChIKey is IBMUXMDJFZHDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F15N2O4/c1-6(33)31(7(34)10(16,17)13(22,23)24)4-2-3-5-32(8(35)11(18,19)14(25,26)27)9(36)12(20,21)15(28,29)30/h2-5H2,1H3.
What are the key properties of N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide?
N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide has a molecular weight of 568.23 g/mol, XLogP of 4.09, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[4-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]butyl]-2,2,3,3,3-pentafluoropropanamide is sourced from PubChem (CID 91691816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).