2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide

C10H7F6NO — CID 114038112

IUPAC2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(F)(F)C(F)(F)F)c(F)c1
InChIInChI=1S/C10H7F6NO/c1-5-2-3-7(6(11)4-5)17-8(18)9(12,13)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKeyMIHPRTNWQPFFSQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.27
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide

2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 114038112) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID114038112
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(F)(F)C(F)(F)F)c(F)c1
InChIInChI=1S/C10H7F6NO/c1-5-2-3-7(6(11)4-5)17-8(18)9(12,13)10(14,15)16/h2-4H,1H3,(H,17,18)
InChIKeyMIHPRTNWQPFFSQ-UHFFFAOYSA-N
XLogP3.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.27
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

N-(2-fluoro-4-methylphenyl)-2,2-dimethylpropanamide
CID 24898894
N-(2-fluoro-4-methylphenyl)-2-methyl-2-(methylamino)propanamide
CID 62835057
3-amino-N-(2-fluoro-4-methylphenyl)-2,2,3-trimethylbutanamide
CID 65264934
N-(2-fluoro-4-methylphenyl)propanamide
CID 60628124
2-chloro-N-(2-fluoro-4-methylphenyl)acetamide
CID 2497550
2-[(4-carboxy-2,2,3,3,4,4-hexafluorobutanoyl)amino]-5-methylbenzoic acid
CID 4169297
(2S)-2-amino-N-(2-fluoro-4-methylphenyl)-3,3-dimethylbutanamide
CID 61148813
N-(2-fluoro-4-methylphenyl)-3-(trifluoromethyl)benzamide
CID 26522930
N-(2-fluoro-4-methylphenyl)-2-hydroxy-4-methylbenzamide
CID 28881726
N'-(2,4-difluorophenyl)-N-(2,4-dimethylphenyl)oxamide
CID 44998488
4-(2-fluoro-4-methylanilino)-4-oxobutanoic acid
CID 43396222
N'-(2-fluoro-4-methylphenyl)-N-(4-hydroxy-2,2-dimethylbutyl)oxamide
CID 111491170

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide (CID 114038112) is 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(F)(F)C(F)(F)F)c(F)c1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is MIHPRTNWQPFFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c1-5-2-3-7(6(11)4-5)17-8(18)9(12,13)10(14,15)16/h2-4H,1H3,(H,17,18).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide?
2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 271.16 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 114038112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).