2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide

C8H3F6NO — CID 107646145

IUPAC2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)C(F)F
InChIInChI=1S/C8H3F6NO/c9-2-1-3(10)5(12)6(4(2)11)15-8(16)7(13)14/h1,7H,(H,15,16)
InChIKeyPAVWKUFRUHPPAZ-UHFFFAOYSA-N
MW243.11 g/mol
LogP2.45
Rot. Bonds2

About 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide

2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide (PubChem CID 107646145) has the molecular formula C8H3F6NO and a molecular weight of 243.11 g/mol. Its IUPAC name is 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
PubChem CID107646145
Molecular FormulaC8H3F6NO
Molecular Weight243.11 g/mol
Exact Mass243.01
IUPAC Name2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
SMILESO=C(Nc1c(F)c(F)cc(F)c1F)C(F)F
InChIInChI=1S/C8H3F6NO/c9-2-1-3(10)5(12)6(4(2)11)15-8(16)7(13)14/h1,7H,(H,15,16)
InChIKeyPAVWKUFRUHPPAZ-UHFFFAOYSA-N
XLogP2.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3,3-dimethyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 107641656
(2S)-2-amino-4-methyl-N-(2,3,5,6-tetrafluorophenyl)pentanamide
CID 107641670
N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide
CID 165403947
4-amino-5-oxo-5-(2,3,5,6-tetrafluoroanilino)pentanoic acid
CID 107641748
5-[(2,2-difluoroacetyl)amino]-2,4-difluorobenzoic acid
CID 103513190
2-(4-chloro-5-methylpyrazol-1-yl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 19533585
N-(2,3,5,6-tetrafluorophenyl)carbamothioyl chloride
CID 135378873
2-methyl-3-[(2,3,5,6-tetrafluorophenyl)carbamoylamino]propanoic acid
CID 107642223
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-N-(2,3,5,6-tetrafluorophenyl)propanamide
CID 23858692
2-benzylsulfanyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 23801430
2-cyclohexylsulfanyl-N-(2,3,5,6-tetrafluorophenyl)butanamide
CID 23858547
4-amino-N-(2,3,5,6-tetrafluorophenyl)benzamide
CID 107641222

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide (CID 107646145) is 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide is O=C(Nc1c(F)c(F)cc(F)c1F)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide?
The InChIKey is PAVWKUFRUHPPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO/c9-2-1-3(10)5(12)6(4(2)11)15-8(16)7(13)14/h1,7H,(H,15,16).
What are the key properties of 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide?
2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide has a molecular weight of 243.11 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide is sourced from PubChem (CID 107646145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).