N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide

C13H11F3N2O3 — CID 126969772

IUPACN'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide
SMILESCc1oc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=NO
InChIInChI=1S/C13H11F3N2O3/c1-7-10(12(17)18-19)6-11(20-7)8-2-4-9(5-3-8)21-13(14,15)16/h2-6,19H,1H3,(H2,17,18)
InChIKeyCHVJLZRSUQBAPT-UHFFFAOYSA-N
MW300.24 g/mol
LogP3.25
Rot. Bonds3

About N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide

N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide (PubChem CID 126969772) has the molecular formula C13H11F3N2O3 and a molecular weight of 300.24 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide
PubChem CID126969772
Molecular FormulaC13H11F3N2O3
Molecular Weight300.24 g/mol
Exact Mass300.07
IUPAC NameN'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide
SMILESCc1oc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=NO
InChIInChI=1S/C13H11F3N2O3/c1-7-10(12(17)18-19)6-11(20-7)8-2-4-9(5-3-8)21-13(14,15)16/h2-6,19H,1H3,(H2,17,18)
InChIKeyCHVJLZRSUQBAPT-UHFFFAOYSA-N
XLogP3.25
TPSA80.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-5-phenylfuran-3-carboximidamide
CID 126969675
hydroxylamine;N'-hydroxy-4-methylbenzenecarboximidamide;1-isocyano-4-(trifluoromethoxy)benzene;hydrochloride
CID 159004753
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977
2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide
CID 172826560
N'-hydroxy-4-[(2-methylpropan-2-yl)oxy]benzenecarboximidamide
CID 43128315
2-methyl-4-[4-(trifluoromethoxy)phenyl]aniline
CID 54912467
2-methyl-6-[4-(trifluoromethoxy)phenyl]-1-benzofuran
CID 155607191
3-amino-3-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]propanamide
CID 170876267
methyl 2-methyl-5-[[4-(trifluoromethoxy)benzoyl]oxymethyl]furan-3-carboxylate
CID 2097734
5-(4-aminophenyl)-2-methylfuran-3-carboxylic acid
CID 141180065
ethyl 5-methyl-2-[4-(trifluoromethoxy)phenyl]-1,3-oxazole-4-carboxylate
CID 122477403

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide (CID 126969772) is N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide is Cc1oc(-c2ccc(OC(F)(F)F)cc2)cc1C(N)=NO.
What is the InChIKey of N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide?
The InChIKey is CHVJLZRSUQBAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O3/c1-7-10(12(17)18-19)6-11(20-7)8-2-4-9(5-3-8)21-13(14,15)16/h2-6,19H,1H3,(H2,17,18).
What are the key properties of N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide?
N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide has a molecular weight of 300.24 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide is sourced from PubChem (CID 126969772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).