2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide

C8H6BrF4NO — CID 68534257

IUPAC2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
SMILESBr.NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H5F4NO.BrH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;/h1-3H,(H2,13,14);1H
InChIKeyPRTXDQZRFZOWKW-UHFFFAOYSA-N
MW288.04 g/mol
LogP2.52
Rot. Bonds1

About 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide

2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide (PubChem CID 68534257) has the molecular formula C8H6BrF4NO and a molecular weight of 288.04 g/mol. Its IUPAC name is 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide.

Molecular Properties

Compound Name2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
PubChem CID68534257
Molecular FormulaC8H6BrF4NO
Molecular Weight288.04 g/mol
Exact Mass286.96
IUPAC Name2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide
SMILESBr.NC(=O)c1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C8H5F4NO.BrH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;/h1-3H,(H2,13,14);1H
InChIKeyPRTXDQZRFZOWKW-UHFFFAOYSA-N
XLogP2.52
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.04
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(diaminomethylidene)-2-fluoro-5-(trifluoromethyl)benzamide;hydrochloride
CID 23212872
2-chloro-5-(trifluoromethyl)benzamide;dihydrochloride
CID 22563834
3-fluoro-2,5-bis(trifluoromethyl)benzamide
CID 118998212
2-(methylamino)-5-(trifluoromethyl)benzamide
CID 71246779
N-(2-amino-2-oxoethoxy)-2-fluoro-5-(trifluoromethyl)benzamide
CID 112551178
2-N-methyl-4-(trifluoromethyl)benzene-1,2-dicarboxamide
CID 70098702
2-fluoro-5-hydroxybenzamide
CID 59402772
N-(2-amino-2-methylpropyl)-2-fluoro-5-(trifluoromethyl)benzamide
CID 81482573
2-fluoro-N-(2-methoxyethoxy)-5-(trifluoromethyl)benzamide
CID 80712032
(4,5-dibromothiophen-2-yl)-[2-fluoro-5-(trifluoromethyl)phenyl]methanone
CID 80532481
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
(1Z)-2-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride
CID 87352351

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide?
The IUPAC name of 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide (CID 68534257) is 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide.
What is the SMILES notation for 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide?
The canonical SMILES for 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide is Br.NC(=O)c1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide?
The InChIKey is PRTXDQZRFZOWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO.BrH/c9-6-2-1-4(8(10,11)12)3-5(6)7(13)14;/h1-3H,(H2,13,14);1H.
What are the key properties of 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide?
2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide has a molecular weight of 288.04 g/mol, XLogP of 2.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(trifluoromethyl)benzamide;hydrobromide is sourced from PubChem (CID 68534257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).