N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

C8H7F3N2O — CID 609330

IUPACN'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKeySBGBSARAGZEWGI-UHFFFAOYSA-N
MW204.15 g/mol
LogP1.80
Rot. Bonds1

About N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide

N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (PubChem CID 609330) has the molecular formula C8H7F3N2O and a molecular weight of 204.15 g/mol. Its IUPAC name is N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
PubChem CID609330
Molecular FormulaC8H7F3N2O
Molecular Weight204.15 g/mol
Exact Mass204.05
IUPAC NameN'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide
SMILESNC(=NO)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(12)13-14/h1-4,14H,(H2,12,13)
InChIKeySBGBSARAGZEWGI-UHFFFAOYSA-N
XLogP1.80
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 51.80
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-3-(trifluoromethyl)benzenecarboximidamide
CID 63181749
3-(trifluoromethyl)-N'-[3-(trifluoromethyl)phenyl]benzenecarboximidamide
CID 4269086
N'-(ethenylamino)-3-(trifluoromethyl)benzenecarboximidamide
CID 172946963
2-oxo-2-[3-(trifluoromethyl)phenyl]acetamide
CID 116996899
(2E)-2-hydroxyimino-2-[3-(trifluoromethyl)phenyl]acetic acid
CID 87919626
S-[(E)-[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethylidene]amino]thiohydroxylamine
CID 10827172
(NE)-N-[pyridazin-3-yl-[3-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 136759484
3-(trifluoromethyl)benzenecarboximidamide;hydrochloride
CID 2730243
3-(1,1-difluoroethoxy)-N'-hydroxybenzenecarboximidamide
CID 155020410
N'-hydroxy-3-methylbenzenecarboximidamide
CID 162202893
(Z)-3-hydroxy-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 54704246
tert-butyl N-[[amino-[3-(trifluoromethyl)phenyl]methylidene]amino]carbamate
CID 57366785

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide (CID 609330) is N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is NC(=NO)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is SBGBSARAGZEWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O/c9-8(10,11)6-3-1-2-5(4-6)7(12)13-14/h1-4,14H,(H2,12,13).
What are the key properties of N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide?
N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 204.15 g/mol, XLogP of 1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 609330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).