2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide

C10H6F7NO — CID 9556

IUPAC2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
SMILESO=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-5H,(H,18,19)
InChIKeyAFGARRAOIQHNDW-UHFFFAOYSA-N
MW289.15 g/mol
LogP3.46
Rot. Bonds3

About 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide

2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide (PubChem CID 9556) has the molecular formula C10H6F7NO and a molecular weight of 289.15 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
PubChem CID9556
Molecular FormulaC10H6F7NO
Molecular Weight289.15 g/mol
Exact Mass289.03
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
SMILESO=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-5H,(H,18,19)
InChIKeyAFGARRAOIQHNDW-UHFFFAOYSA-N
XLogP3.46
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
CID 532100
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(4-phenoxyphenyl)nonanamide
CID 4250486
N-(4-ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 3604613
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
N-(2-acetamidophenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
CID 167946081
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-N-pyridin-4-yloctanamide
CID 15164357
N-(4-anilinophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4120974
N-(4-acetylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748500
4-(2,2,3,3,3-pentafluoropropanoylamino)benzoic acid
CID 6612355
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide (CID 9556) is 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide is O=C(Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide?
The InChIKey is AFGARRAOIQHNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F7NO/c11-8(12,9(13,14)10(15,16)17)7(19)18-6-4-2-1-3-5-6/h1-5H,(H,18,19).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide?
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide has a molecular weight of 289.15 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide is sourced from PubChem (CID 9556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).