2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide

C9H5F6NO — CID 532140

IUPAC2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)
InChIKeyPBUZXWZWAZFUOL-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.96
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide

2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide (PubChem CID 532140) has the molecular formula C9H5F6NO and a molecular weight of 257.13 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
PubChem CID532140
Molecular FormulaC9H5F6NO
Molecular Weight257.13 g/mol
Exact Mass257.03
IUPAC Name2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
SMILESO=C(Nc1ccc(F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H5F6NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17)
InChIKeyPBUZXWZWAZFUOL-UHFFFAOYSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.96
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-(4-bromophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 532144
4-(2,2,3,3,3-pentafluoropropanoylamino)benzoic acid
CID 6612355
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N-(4-fluorophenyl)hexanamide
CID 3278706
N-(3,5-difluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114038120
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851
2,2,3,3,3-pentafluoro-N-(4-sulfamoylphenyl)propanamide
CID 91742405
N-(4-bromo-3-fluorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 114037844
N-(3,4-dichlorophenyl)-2,2,3,3,3-pentafluoropropanamide
CID 14274634
2-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 60778732
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
1-(4-fluorophenyl)-3-[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]urea
CID 71672992
2,2,3,3,4,4,4-heptafluoro-N-[4-(trifluoromethyl)phenyl]butanamide
CID 17071374

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide (CID 532140) is 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide is O=C(Nc1ccc(F)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide?
The InChIKey is PBUZXWZWAZFUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6NO/c10-5-1-3-6(4-2-5)16-7(17)8(11,12)9(13,14)15/h1-4H,(H,16,17).
What are the key properties of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide?
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide has a molecular weight of 257.13 g/mol, XLogP of 2.96, 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-(4-fluorophenyl)propanamide is sourced from PubChem (CID 532140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).