3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide

C8H7F3N2O2 — CID 174808236

IUPAC3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(O)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-4(7(12)13)2-1-3-5(6)14/h1-3,14H,(H3,12,13)
InChIKeyYGKYHQSWSOFVBW-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.57
Rot. Bonds2

About 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide

3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide (PubChem CID 174808236) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
PubChem CID174808236
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(O)c1OC(F)(F)F
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-4(7(12)13)2-1-3-5(6)14/h1-3,14H,(H3,12,13)
InChIKeyYGKYHQSWSOFVBW-UHFFFAOYSA-N
XLogP1.57
TPSA79.33 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
CID 137025781
2-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 159370745
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
3-chloro-2-(trifluoromethoxy)phenol
CID 67274818
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
1-hydroxyindole-4-carboximidamide
CID 68773031
biphenylene-1,8-dicarboximidamide
CID 71696896
4-bromo-3,5-diethyl-2-(trifluoromethoxy)benzenecarboximidamide
CID 151965423
2-ethoxy-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240558
N-butan-2-yl-3-hydroxy-2-(trifluoromethoxy)benzamide
CID 126815917
2-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 24699862

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide?
The IUPAC name of 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide (CID 174808236) is 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide.
What is the SMILES notation for 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide?
The canonical SMILES for 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cccc(O)c1OC(F)(F)F.
What is the InChIKey of 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide?
The InChIKey is YGKYHQSWSOFVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)15-6-4(7(12)13)2-1-3-5(6)14/h1-3,14H,(H3,12,13).
What are the key properties of 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide?
3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide has a molecular weight of 220.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide is sourced from PubChem (CID 174808236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).