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

C11H8F7NO — CID 532100

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C11H8F7NO/c1-6-3-2-4-7(5-6)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyIMSZHAVHIOIFSQ-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.77
Rot. Bonds3

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

2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide (PubChem CID 532100) has the molecular formula C11H8F7NO and a molecular weight of 303.18 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
PubChem CID532100
Molecular FormulaC11H8F7NO
Molecular Weight303.18 g/mol
Exact Mass303.05
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide
SMILESCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1
InChIInChI=1S/C11H8F7NO/c1-6-3-2-4-7(5-6)19-8(20)9(12,13)10(14,15)11(16,17)18/h2-5H,1H3,(H,19,20)
InChIKeyIMSZHAVHIOIFSQ-UHFFFAOYSA-N
XLogP3.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.77
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

(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methylphenyl)propanamide
CID 163155322
2,2,3,3,4,4,4-heptafluoro-N-phenylbutanamide
CID 9556
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(3-methoxyphenyl)nonanamide
CID 3510887
(2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-methylphenyl)propanamide
CID 95239983
N-(3-methylphenyl)acetamide
CID 10843
N-(3-hydroxyphenyl)-N'-(3-methylphenyl)oxamide
CID 10445826
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
9-chloro-N-(3,5-dimethylphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononanamide
CID 4107079
2,2-dimethyl-N-(3-methylphenyl)butanamide
CID 669985
N'-(2,6-difluorophenyl)-N-(3-methylphenyl)oxamide
CID 108515662
3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoylamino)-N-hydroxybenzeneamine oxide
CID 163144098
3-amino-2,2-dimethyl-N-(3-methylphenyl)propanamide;hydrochloride
CID 119670425

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide (CID 532100) is 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide is Cc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide?
The InChIKey is IMSZHAVHIOIFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO/c1-6-3-2-4-7(5-6)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-(3-methylphenyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(3-methylphenyl)butanamide has a molecular weight of 303.18 g/mol, XLogP of 3.77, 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-(3-methylphenyl)butanamide is sourced from PubChem (CID 532100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).