4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

C11H10F5NO — CID 103528310

IUPAC4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H10F5NO/c1-6-4-7(12)2-3-8(6)9(18)17-5-11(15,16)10(13)14/h2-4,10H,5H2,1H3,(H,17,18)
InChIKeyDBPIWFNHYUXAHO-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.76
Rot. Bonds4

About 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide

4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (PubChem CID 103528310) has the molecular formula C11H10F5NO and a molecular weight of 267.20 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
PubChem CID103528310
Molecular FormulaC11H10F5NO
Molecular Weight267.20 g/mol
Exact Mass267.07
IUPAC Name4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
SMILESCc1cc(F)ccc1C(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C11H10F5NO/c1-6-4-7(12)2-3-8(6)9(18)17-5-11(15,16)10(13)14/h2-4,10H,5H2,1H3,(H,17,18)
InChIKeyDBPIWFNHYUXAHO-UHFFFAOYSA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.76
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

4-hydroxy-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 103528791
4-hydrazinyl-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295653
N-(5-amino-2,2-dimethylpentyl)-4-fluoro-2-methylbenzamide
CID 106140917
N-(2-ethylbutyl)-4-fluoro-2-methylbenzamide
CID 115745580
5-methyl-2-(methylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295577
2-fluoro-N-(2,2,3,3-tetrafluoropropyl)-5-(trifluoromethyl)benzamide
CID 103528324
4-fluoro-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]benzamide
CID 113268641
4-methyl-2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295510
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
4-fluoro-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylbenzamide
CID 115745663
2-(3-hydroxyprop-1-ynyl)-4-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide
CID 106295346

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The IUPAC name of 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide (CID 103528310) is 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide.
What is the SMILES notation for 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The canonical SMILES for 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is Cc1cc(F)ccc1C(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
The InChIKey is DBPIWFNHYUXAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO/c1-6-4-7(12)2-3-8(6)9(18)17-5-11(15,16)10(13)14/h2-4,10H,5H2,1H3,(H,17,18).
What are the key properties of 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide?
4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide has a molecular weight of 267.20 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzamide is sourced from PubChem (CID 103528310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).