4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide

C12H14BrF3N2O — CID 151965423

IUPAC4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CC)c(Br)c(CC)c1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O/c1-3-6-5-8(11(17)18)10(19-12(14,15)16)7(4-2)9(6)13/h5H,3-4H2,1-2H3,(H3,17,18)
InChIKeyTZOBBTXNNQOGME-UHFFFAOYSA-N
MW339.16 g/mol
LogP3.76
Rot. Bonds4

About 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide

4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide (PubChem CID 151965423) has the molecular formula C12H14BrF3N2O and a molecular weight of 339.16 g/mol. Its IUPAC name is 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide
PubChem CID151965423
Molecular FormulaC12H14BrF3N2O
Molecular Weight339.16 g/mol
Exact Mass338.02
IUPAC Name4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(CC)c(Br)c(CC)c1OC(F)(F)F
InChIInChI=1S/C12H14BrF3N2O/c1-3-6-5-8(11(17)18)10(19-12(14,15)16)7(4-2)9(6)13/h5H,3-4H2,1-2H3,(H3,17,18)
InChIKeyTZOBBTXNNQOGME-UHFFFAOYSA-N
XLogP3.76
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.16
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
CID 174808236
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
ethyl 2-[6-amino-3-bromo-2-(trifluoromethoxy)phenyl]acetate
CID 134633676
2-ethyl-4-(trifluoromethoxy)benzamide
CID 141054178
3,5-difluoro-4-propoxybenzenecarboximidamide
CID 81293988
2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 137025781
2-(2-methylbutan-2-yloxy)-6-(trifluoromethyl)pyridine-3-carboximidamide
CID 79877400
ethyl 2-ethyl-5-(trifluoromethoxy)benzoate
CID 170266184
ethyl 3-bromo-5-cyano-2-(trifluoromethoxy)benzoate
CID 134650513
3-ethyl-2-(trifluoromethoxy)benzaldehyde
CID 170999043
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018
5-chloro-2-(2-methylbutan-2-yloxy)benzenecarboximidamide
CID 62494784

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide?
The IUPAC name of 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide (CID 151965423) is 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide.
What is the SMILES notation for 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide?
The canonical SMILES for 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cc(CC)c(Br)c(CC)c1OC(F)(F)F.
What is the InChIKey of 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide?
The InChIKey is TZOBBTXNNQOGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF3N2O/c1-3-6-5-8(11(17)18)10(19-12(14,15)16)7(4-2)9(6)13/h5H,3-4H2,1-2H3,(H3,17,18).
What are the key properties of 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide?
4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide has a molecular weight of 339.16 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide is sourced from PubChem (CID 151965423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).