4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide

C10H6BrF6NO2 — CID 146275233

IUPAC4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1c(F)cc(Br)cc1OC(F)F
InChIInChI=1S/C10H6BrF6NO2/c11-4-1-5(12)7(6(2-4)20-9(13)14)8(19)18-3-10(15,16)17/h1-2,9H,3H2,(H,18,19)
InChIKeyRYIOHKUASPJAEU-UHFFFAOYSA-N
MW366.06 g/mol
LogP3.48
Rot. Bonds4

About 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide

4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 146275233) has the molecular formula C10H6BrF6NO2 and a molecular weight of 366.06 g/mol. Its IUPAC name is 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID146275233
Molecular FormulaC10H6BrF6NO2
Molecular Weight366.06 g/mol
Exact Mass364.95
IUPAC Name4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1c(F)cc(Br)cc1OC(F)F
InChIInChI=1S/C10H6BrF6NO2/c11-4-1-5(12)7(6(2-4)20-9(13)14)8(19)18-3-10(15,16)17/h1-2,9H,3H2,(H,18,19)
InChIKeyRYIOHKUASPJAEU-UHFFFAOYSA-N
XLogP3.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.06
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-ethyl-6-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 163582712
4-bromo-2-hydroxy-6-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 174363574
5-bromo-3-fluoro-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 172610049
4-bromo-2,6-difluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzamide
CID 103747096
4-bromo-2-(difluoromethoxy)-6-methylbenzoic acid
CID 131547586
4-bromo-N-(5-bromo-2,2-dimethylpentyl)-2,6-difluorobenzamide
CID 106145101
3,5-dibromo-2-hydroxy-N-(2,2,2-trifluoroethyl)benzamide
CID 7535357
3-bromo-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 104851794
1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-one
CID 114976545
4-bromo-N-cyclopropyl-2-(difluoromethoxy)-6-methoxybenzamide
CID 146275174
methyl 4-bromo-2-(2,2-difluoroethoxy)-6-fluorobenzoate
CID 155486835
1-[2-(difluoromethoxy)-4-ethyl-6-fluorophenyl]ethanone
CID 171031671

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide (CID 146275233) is 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1c(F)cc(Br)cc1OC(F)F.
What is the InChIKey of 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is RYIOHKUASPJAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrF6NO2/c11-4-1-5(12)7(6(2-4)20-9(13)14)8(19)18-3-10(15,16)17/h1-2,9H,3H2,(H,18,19).
What are the key properties of 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide?
4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 366.06 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(difluoromethoxy)-6-fluoro-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 146275233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).