2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide

C11H7F8NO — CID 103528324

IUPAC2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H7F8NO/c12-7-2-1-5(11(17,18)19)3-6(7)8(21)20-4-10(15,16)9(13)14/h1-3,9H,4H2,(H,20,21)
InChIKeyQREMOQNMTBRZIY-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.47
Rot. Bonds4

About 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide

2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide (PubChem CID 103528324) has the molecular formula C11H7F8NO and a molecular weight of 321.17 g/mol. Its IUPAC name is 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
PubChem CID103528324
Molecular FormulaC11H7F8NO
Molecular Weight321.17 g/mol
Exact Mass321.04
IUPAC Name2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
SMILESO=C(NCC(F)(F)C(F)F)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C11H7F8NO/c12-7-2-1-5(11(17,18)19)3-6(7)8(21)20-4-10(15,16)9(13)14/h1-3,9H,4H2,(H,20,21)
InChIKeyQREMOQNMTBRZIY-UHFFFAOYSA-N
XLogP3.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.47
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-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-fluoro-5-sulfamoyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528381
N-(2-amino-2-ethylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 119643636
5-(3-aminoprop-1-ynyl)-2-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295376
N-(4-chloro-2-methylbutyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 114306055
2-fluoro-N-(3-methylbut-2-enyl)-5-(trifluoromethyl)benzamide
CID 103528233
2-amino-3-fluoro-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106291883
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528310
2-fluoro-N-(3-methylbutan-2-yl)-5-(trifluoromethyl)benzamide
CID 18712129
2-fluoro-6-hydroxy-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528795
N-[[2-(difluoromethoxy)-5-fluorophenyl]methyl]-2-fluoro-5-(trifluoromethyl)benzamide
CID 146150657
2-fluoro-N-[2-(2-methoxyethylamino)ethyl]-5-(trifluoromethyl)benzamide
CID 82991096

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide (CID 103528324) is 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide is O=C(NCC(F)(F)C(F)F)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide?
The InChIKey is QREMOQNMTBRZIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F8NO/c12-7-2-1-5(11(17,18)19)3-6(7)8(21)20-4-10(15,16)9(13)14/h1-3,9H,4H2,(H,20,21).
What are the key properties of 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide?
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide has a molecular weight of 321.17 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 103528324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).