2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide

C9H7F5N2O2 — CID 172826560

IUPAC2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide
SMILESNC(=NO)C(F)(F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H7F5N2O2/c10-8(11,7(15)16-17)5-1-3-6(4-2-5)18-9(12,13)14/h1-4,17H,(H2,15,16)
InChIKeyUYCUNMTTWLOQFA-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.42
Rot. Bonds3

About 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide

2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide (PubChem CID 172826560) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound Name2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide
PubChem CID172826560
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide
SMILESNC(=NO)C(F)(F)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C9H7F5N2O2/c10-8(11,7(15)16-17)5-1-3-6(4-2-5)18-9(12,13)14/h1-4,17H,(H2,15,16)
InChIKeyUYCUNMTTWLOQFA-UHFFFAOYSA-N
XLogP2.42
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2E)-2-amino-2-hydroxyimino-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 53274904
2-[[4-(trifluoromethoxy)phenyl]methyl]guanidine
CID 139746208
1-(trifluoromethoxy)-4-[[4-(trifluoromethoxy)phenyl]disulfanyl]benzene
CID 86088132
1-(2,3-dimethylbut-3-en-2-yl)-4-(trifluoromethoxy)benzene
CID 70222036
methanamine;1-methyl-4-(trifluoromethoxy)benzene
CID 142968815
[4-(trifluoromethoxy)phenyl]urea
CID 2779224
2-bromo-3-[4-(trifluoromethoxy)phenyl]propanamide
CID 104512947
(R)-(4-tert-butylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171240272
pyridin-4-yl-bis[4-(trifluoromethoxy)phenyl]methanol;hydrochloride
CID 19040918
pyridin-1-ium-4-yl-bis[4-(trifluoromethoxy)phenyl]methanol chloride
CID 134093443
N'-hydroxy-2-methyl-5-[4-(trifluoromethoxy)phenyl]furan-3-carboximidamide
CID 126969772
N-[4-(trifluoromethoxy)phenyl]methanimine
CID 118183095

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide?
The IUPAC name of 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide (CID 172826560) is 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide.
What is the SMILES notation for 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide?
The canonical SMILES for 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide is NC(=NO)C(F)(F)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide?
The InChIKey is UYCUNMTTWLOQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-8(11,7(15)16-17)5-1-3-6(4-2-5)18-9(12,13)14/h1-4,17H,(H2,15,16).
What are the key properties of 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide?
2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide has a molecular weight of 270.16 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-hydroxy-2-[4-(trifluoromethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 172826560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).