N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide

C11H10BrF5N2 — CID 154967751

IUPACN-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(/Nc1c(F)cc(Br)cc1F)C(F)(F)F
InChIInChI=1S/C11H10BrF5N2/c1-5(2)18-10(11(15,16)17)19-9-7(13)3-6(12)4-8(9)14/h3-5H,1-2H3,(H,18,19)
InChIKeyRWZKZRYTOKEETH-UHFFFAOYSA-N
MW345.11 g/mol
LogP4.51
Rot. Bonds2

About N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide

N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide (PubChem CID 154967751) has the molecular formula C11H10BrF5N2 and a molecular weight of 345.11 g/mol. Its IUPAC name is N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide
PubChem CID154967751
Molecular FormulaC11H10BrF5N2
Molecular Weight345.11 g/mol
Exact Mass343.99
IUPAC NameN-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide
SMILESCC(C)/N=C(/Nc1c(F)cc(Br)cc1F)C(F)(F)F
InChIInChI=1S/C11H10BrF5N2/c1-5(2)18-10(11(15,16)17)19-9-7(13)3-6(12)4-8(9)14/h3-5H,1-2H3,(H,18,19)
InChIKeyRWZKZRYTOKEETH-UHFFFAOYSA-N
XLogP4.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.11
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;ethane
CID 142598031
(2S)-2-amino-N-(4-bromo-2,6-difluorophenyl)propanamide
CID 79009037
4-bromo-2,6-difluoro-N-(6,6,6-trifluorohexan-2-yl)aniline
CID 116534853
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
3-[(4-bromo-2,6-difluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 65498833
4-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]-2,6-difluoroaniline
CID 65469266
4-bromo-2,6-difluoro-N-(2-methylpropyl)aniline
CID 65468716
4-amino-N-(4-bromo-2,6-difluorophenyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 65468469
4-bromo-2,6-difluoro-N-[1-(furan-2-yl)ethyl]aniline
CID 65467932
potassium;N-(4-bromo-2,6-difluorophenyl)-N'-propan-2-ylethanimidamide;6-bromo-4-fluoro-2-methyl-1-propan-2-ylbenzimidazole;deuterio(fluoro)methane;2-methylpropan-2-olate
CID 161399158
3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
1-N-(4-bromo-2,6-difluorophenyl)-1-N'-propan-2-ylethane-1,1-diamine
CID 138669092

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide?
The IUPAC name of N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide (CID 154967751) is N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide.
What is the SMILES notation for N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide?
The canonical SMILES for N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide is CC(C)/N=C(/Nc1c(F)cc(Br)cc1F)C(F)(F)F.
What is the InChIKey of N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide?
The InChIKey is RWZKZRYTOKEETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF5N2/c1-5(2)18-10(11(15,16)17)19-9-7(13)3-6(12)4-8(9)14/h3-5H,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide?
N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide has a molecular weight of 345.11 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-difluorophenyl)-2,2,2-trifluoro-N'-propan-2-ylethanimidamide is sourced from PubChem (CID 154967751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).