N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide

C11H8F7NO — CID 3396712

IUPACN-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide
SMILESO=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)6-19-8(20)7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKeyQKMXWPBMDRVWTQ-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.25
Rot. Bonds4

About N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide

N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide (PubChem CID 3396712) has the molecular formula C11H8F7NO and a molecular weight of 303.18 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide
PubChem CID3396712
Molecular FormulaC11H8F7NO
Molecular Weight303.18 g/mol
Exact Mass303.05
IUPAC NameN-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide
SMILESO=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)6-19-8(20)7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKeyQKMXWPBMDRVWTQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide?
The IUPAC name of N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide (CID 3396712) is N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide.
What is the SMILES notation for N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide?
The canonical SMILES for N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide is O=C(NCC(F)(F)C(F)(F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide?
The InChIKey is QKMXWPBMDRVWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)6-19-8(20)7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20).
What are the key properties of N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide?
N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide has a molecular weight of 303.18 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,4-heptafluorobutyl)benzamide is sourced from PubChem (CID 3396712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).