2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide

C8H7F3N2O2 — CID 137025781

IUPAC2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-5-3-1-2-4(6(5)14)7(12)13/h1-3,14H,(H3,12,13)
InChIKeyCQZCGAJSCSAQTN-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.57
Rot. Bonds2

About 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide

2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide (PubChem CID 137025781) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
PubChem CID137025781
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OC(F)(F)F)c1O
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)15-5-3-1-2-4(6(5)14)7(12)13/h1-3,14H,(H3,12,13)
InChIKeyCQZCGAJSCSAQTN-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-(trifluoromethoxy)benzenecarboximidamide;hydrochloride
CID 21250688
3-hydroxy-2-(trifluoromethoxy)benzenecarboximidamide
CID 174808236
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
[2-hydroxy-3-(trifluoromethoxy)phenoxy]boronic acid
CID 172837844
2-(trifluoromethyl)benzenecarboximidamide
CID 3266509
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
CID 86295020
[2-hydroxy-3-(trifluoromethoxy)phenyl]-pyridin-4-ylmethanone
CID 134627438
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
2-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 42614308
2-hydroxybenzenecarboximidamide;2,2,2-trifluoroacetic acid
CID 159370745
2-hydroxy-3-(trifluoromethoxy)benzenesulfonyl chloride
CID 122199046
2-[(1S)-1-aminoethyl]-6-(trifluoromethoxy)phenol;hydrochloride
CID 171255504

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
The IUPAC name of 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide (CID 137025781) is 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide.
What is the SMILES notation for 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
The canonical SMILES for 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide is [H]/N=C(\N)c1cccc(OC(F)(F)F)c1O.
What is the InChIKey of 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
The InChIKey is CQZCGAJSCSAQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)15-5-3-1-2-4(6(5)14)7(12)13/h1-3,14H,(H3,12,13).
What are the key properties of 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide?
2-hydroxy-3-(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 2-hydroxy-3-(trifluoromethoxy)benzenecarboximidamide is sourced from PubChem (CID 137025781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).