2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

C11H10F5NO2 — CID 62865819

IUPAC2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C11H10F5NO2/c12-8-3-1-2-7(9(8)13)10(18)17-4-5-19-6-11(14,15)16/h1-3H,4-6H2,(H,17,18)
InChIKeyJMBKWMBFGDFZQV-UHFFFAOYSA-N
MW283.20 g/mol
LogP2.27
Rot. Bonds5

About 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide

2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (PubChem CID 62865819) has the molecular formula C11H10F5NO2 and a molecular weight of 283.20 g/mol. Its IUPAC name is 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.

Molecular Properties

Compound Name2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
PubChem CID62865819
Molecular FormulaC11H10F5NO2
Molecular Weight283.20 g/mol
Exact Mass283.06
IUPAC Name2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
SMILESO=C(NCCOCC(F)(F)F)c1cccc(F)c1F
InChIInChI=1S/C11H10F5NO2/c12-8-3-1-2-7(9(8)13)10(18)17-4-5-19-6-11(14,15)16/h1-3H,4-6H2,(H,17,18)
InChIKeyJMBKWMBFGDFZQV-UHFFFAOYSA-N
XLogP2.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.20
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-4-carboxamide
CID 63832136
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,3,4-tetrahydroquinoxaline-5-carboxamide
CID 104615046
2-fluoro-4-methoxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 86921725
2,3-difluoro-N-(3-methoxypropyl)benzamide
CID 62650844
2-(ethylamino)-3-fluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyridine-4-carboxamide
CID 105386389
2-amino-4-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 55261445
4-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 63827528
2-(4-methylpiperazin-1-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 154844942
N-(3,3-dimethylbutyl)-2,3-difluorobenzamide
CID 115605194
N-[2-(2-bromoethoxy)ethyl]-2-chloro-3-fluorobenzamide
CID 114309236
2,3-difluoro-N-(3-iodopropyl)benzamide
CID 114504531

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The IUPAC name of 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide (CID 62865819) is 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide.
What is the SMILES notation for 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The canonical SMILES for 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is O=C(NCCOCC(F)(F)F)c1cccc(F)c1F.
What is the InChIKey of 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
The InChIKey is JMBKWMBFGDFZQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F5NO2/c12-8-3-1-2-7(9(8)13)10(18)17-4-5-19-6-11(14,15)16/h1-3H,4-6H2,(H,17,18).
What are the key properties of 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide?
2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide has a molecular weight of 283.20 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide is sourced from PubChem (CID 62865819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).