2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride

C9H9ClF3NO2 — CID 160645363

IUPAC2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C9H8F3NO2.ClH/c10-9(11,12)5-15-7-4-2-1-3-6(7)8(13)14;/h1-4H,5H2,(H2,13,14);1H
InChIKeyRJSHZZFRUNWKMR-UHFFFAOYSA-N
MW255.62 g/mol
LogP2.15
Rot. Bonds3

About 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride

2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride (PubChem CID 160645363) has the molecular formula C9H9ClF3NO2 and a molecular weight of 255.62 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
PubChem CID160645363
Molecular FormulaC9H9ClF3NO2
Molecular Weight255.62 g/mol
Exact Mass255.03
IUPAC Name2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride
SMILESCl.NC(=O)c1ccccc1OCC(F)(F)F
InChIInChI=1S/C9H8F3NO2.ClH/c10-9(11,12)5-15-7-4-2-1-3-6(7)8(13)14;/h1-4H,5H2,(H2,13,14);1H
InChIKeyRJSHZZFRUNWKMR-UHFFFAOYSA-N
XLogP2.15
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.62
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium 2-(2,2,2-trifluoroethoxy)benzoate
CID 23667245
2-(2,2,2-trifluoroethoxy)benzoic acid
CID 11528644
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
5-amino-2-(2,2,2-trifluoroethoxy)benzamide
CID 61312859
2-(3,3,3-trifluoro-2-hydroxypropoxy)benzamide
CID 69220886
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-phenacyloxybenzamide
CID 43218588
2-(4-amino-4-sulfanylidenebutoxy)benzamide
CID 24698755
2-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 29004799
2-(2,2,2-trifluoroethoxy)aniline;hydrochloride
CID 21272058
2-(2-oxoethoxy)benzamide
CID 21273663
2-(3-amino-3-oxopropoxy)benzamide
CID 60713061

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride (CID 160645363) is 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride is Cl.NC(=O)c1ccccc1OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
The InChIKey is RJSHZZFRUNWKMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2.ClH/c10-9(11,12)5-15-7-4-2-1-3-6(7)8(13)14;/h1-4H,5H2,(H2,13,14);1H.
What are the key properties of 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride?
2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride has a molecular weight of 255.62 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)benzamide;hydrochloride is sourced from PubChem (CID 160645363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).