4-fluoro-2-(trifluoromethyl)benzamide

C8H5F4NO — CID 605690

IUPAC4-fluoro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyHRJKVZCCWLPFMF-UHFFFAOYSA-N
MW207.13 g/mol
LogP1.94
Rot. Bonds1

About 4-fluoro-2-(trifluoromethyl)benzamide

4-fluoro-2-(trifluoromethyl)benzamide (PubChem CID 605690) has the molecular formula C8H5F4NO and a molecular weight of 207.13 g/mol. Its IUPAC name is 4-fluoro-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-fluoro-2-(trifluoromethyl)benzamide
PubChem CID605690
Molecular FormulaC8H5F4NO
Molecular Weight207.13 g/mol
Exact Mass207.03
IUPAC Name4-fluoro-2-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(F)cc1C(F)(F)F
InChIInChI=1S/C8H5F4NO/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H2,13,14)
InChIKeyHRJKVZCCWLPFMF-UHFFFAOYSA-N
XLogP1.94
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.13
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Benzamide
CID 2331
Phthalamide
CID 6956
2,6-Difluorobenzamide
CID 87439
2-Trifluoromethylbenzamide
CID 67759
4-Fluorobenzamide
CID 71572
4-Methylbenzamide
CID 69274
2-Methylbenzamide
CID 10704
2-Fluorobenzamide
CID 67964
2-Cyanobenzamide
CID 72883
2,3-Difluoro-6-(trifluoromethyl)benzamide
CID 22010119
4-(Trifluoromethyl)benzamide
CID 74684
3,4-Difluorobenzamide
CID 522832

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-fluoro-2-(trifluoromethyl)benzamide (CID 605690) is 4-fluoro-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-fluoro-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-fluoro-2-(trifluoromethyl)benzamide is NC(=O)c1ccc(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-2-(trifluoromethyl)benzamide?
The InChIKey is HRJKVZCCWLPFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H2,13,14).
What are the key properties of 4-fluoro-2-(trifluoromethyl)benzamide?
4-fluoro-2-(trifluoromethyl)benzamide has a molecular weight of 207.13 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 605690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).