3-(trifluoromethoxy)benzamide;hydrochloride

C8H7ClF3NO2 — CID 66971456

IUPAC3-(trifluoromethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2.ClH/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13;/h1-4H,(H2,12,13);1H
InChIKeyZUZGWIUJYNITQE-UHFFFAOYSA-N
MW241.60 g/mol
LogP2.11
Rot. Bonds2

About 3-(trifluoromethoxy)benzamide;hydrochloride

3-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 66971456) has the molecular formula C8H7ClF3NO2 and a molecular weight of 241.60 g/mol. Its IUPAC name is 3-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name3-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID66971456
Molecular FormulaC8H7ClF3NO2
Molecular Weight241.60 g/mol
Exact Mass241.01
IUPAC Name3-(trifluoromethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C8H6F3NO2.ClH/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13;/h1-4H,(H2,12,13);1H
InChIKeyZUZGWIUJYNITQE-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.60
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-azabicyclo[4.2.0]octa-1,3,5-triene;3-(trifluoromethoxy)benzamide
CID 174355835
2-amino-2-methyl-1-[3-(trifluoromethoxy)phenyl]propan-1-one
CID 116560235
(4-aminophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116548826
1,2,3,4-tetrahydroisoquinolin-7-amine;3-(trifluoromethoxy)benzamide
CID 142270751
(1-aminocyclobutyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116598545
3-(1,1,1-trifluoropropan-2-yloxy)benzamide
CID 56986321
3-bromo-5-[3-(trifluoromethoxy)phenyl]benzamide
CID 170460021
bis[3-(trifluoromethoxy)phenyl]methanone;1-bromo-3-(trifluoromethoxy)benzene;methane
CID 159656585
(4-amino-3-bromophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116582102
(3-amino-4-chlorophenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116552314
ethyl 2-[3-(trifluoromethoxy)phenyl]prop-2-enoate
CID 151326809
(4-amino-3-methylphenyl)-[3-(trifluoromethoxy)phenyl]methanone
CID 116554006

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of 3-(trifluoromethoxy)benzamide;hydrochloride (CID 66971456) is 3-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for 3-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for 3-(trifluoromethoxy)benzamide;hydrochloride is Cl.NC(=O)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is ZUZGWIUJYNITQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO2.ClH/c9-8(10,11)14-6-3-1-2-5(4-6)7(12)13;/h1-4H,(H2,12,13);1H.
What are the key properties of 3-(trifluoromethoxy)benzamide;hydrochloride?
3-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 241.60 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 66971456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).