2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide

C11H8F7NO2 — CID 532102

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H8F7NO2/c1-21-7-4-2-6(3-5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyDQKFVVPVNVSDOM-UHFFFAOYSA-N
MW319.18 g/mol
LogP3.47
Rot. Bonds4

About 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide (PubChem CID 532102) has the molecular formula C11H8F7NO2 and a molecular weight of 319.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide
PubChem CID532102
Molecular FormulaC11H8F7NO2
Molecular Weight319.18 g/mol
Exact Mass319.04
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide
SMILESCOc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C11H8F7NO2/c1-21-7-4-2-6(3-5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyDQKFVVPVNVSDOM-UHFFFAOYSA-N
XLogP3.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.18
LogP ≤ 53.47
H-Bond Donors ≤ 51
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 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide (CID 532102) is 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide is COc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide?
The InChIKey is DQKFVVPVNVSDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO2/c1-21-7-4-2-6(3-5-7)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide has a molecular weight of 319.18 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(4-methoxyphenyl)butanamide is sourced from PubChem (CID 532102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).