2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide

C10H7F6NO — CID 23200262

IUPAC2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide
SMILESO=C(CF)Nc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO/c11-5-8(18)17-7-3-1-6(2-4-7)9(12,13)10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyXNNGWWLDRMLMHQ-UHFFFAOYSA-N
MW271.16 g/mol
LogP3.25
Rot. Bonds3

About 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide

2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide (PubChem CID 23200262) has the molecular formula C10H7F6NO and a molecular weight of 271.16 g/mol. Its IUPAC name is 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide
PubChem CID23200262
Molecular FormulaC10H7F6NO
Molecular Weight271.16 g/mol
Exact Mass271.04
IUPAC Name2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide
SMILESO=C(CF)Nc1ccc(C(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H7F6NO/c11-5-8(18)17-7-3-1-6(2-4-7)9(12,13)10(14,15)16/h1-4H,5H2,(H,17,18)
InChIKeyXNNGWWLDRMLMHQ-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 53.25
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-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]propanamide
CID 22168975
2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide
CID 166409220
2-fluoro-N-[4-[(E)-2-phenylethenyl]phenyl]acetamide
CID 168830160
2-thiophen-3-yl-N-[4-(trifluoromethyl)phenyl]acetamide
CID 7962160
2-[1-(sulfanylmethyl)cyclopropyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 107020407
2-(4-hydroxyphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 14879849
N-(4-acetamidophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51271866
dimethyl-[3-oxo-3-[4-(trifluoromethyl)anilino]propyl]sulfanium
CID 10623396
N-(4-iodophenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 24534873
2-amino-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]acetamide
CID 60848088
N'-[3-(trifluoromethyl)phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 108956063
N'-[4-(trifluoromethyl)phenyl]nonanediamide
CID 91365401

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide?
The IUPAC name of 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide (CID 23200262) is 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide.
What is the SMILES notation for 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide?
The canonical SMILES for 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide is O=C(CF)Nc1ccc(C(F)(F)C(F)(F)F)cc1.
What is the InChIKey of 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide?
The InChIKey is XNNGWWLDRMLMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F6NO/c11-5-8(18)17-7-3-1-6(2-4-7)9(12,13)10(14,15)16/h1-4H,5H2,(H,17,18).
What are the key properties of 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide?
2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide has a molecular weight of 271.16 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide is sourced from PubChem (CID 23200262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).