N'-[2-(trifluoromethoxy)phenyl]ethanimidamide

C9H9F3N2O — CID 63173340

IUPACN'-[2-(trifluoromethoxy)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-6(13)14-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,1H3,(H2,13,14)
InChIKeyJYZQHDKNFNBUTN-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.59
Rot. Bonds2

About N'-[2-(trifluoromethoxy)phenyl]ethanimidamide

N'-[2-(trifluoromethoxy)phenyl]ethanimidamide (PubChem CID 63173340) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is N'-[2-(trifluoromethoxy)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(trifluoromethoxy)phenyl]ethanimidamide
PubChem CID63173340
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC NameN'-[2-(trifluoromethoxy)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccccc1OC(F)(F)F
InChIInChI=1S/C9H9F3N2O/c1-6(13)14-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,1H3,(H2,13,14)
InChIKeyJYZQHDKNFNBUTN-UHFFFAOYSA-N
XLogP2.59
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-chloro-N'-[2-(trifluoromethoxy)phenyl]ethanimidamide
CID 169369851
N'-[4-bromo-2-(trifluoromethoxy)phenyl]ethanimidamide
CID 103193628
2-[[2-(trifluoromethoxy)phenyl]diazenyl]phenol
CID 136634508
2-chloro-N'-[2-[2-(trifluoromethoxy)phenyl]phenyl]ethanimidamide
CID 169367084
1-isocyanato-2-(trifluoromethoxy)benzene
CID 608953
[amino-[2-(trifluoromethoxy)phenyl]methylidene]azanium
CID 86295020
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
[2-(trifluoromethoxy)phenyl]boronic acid
CID 2777204
2-fluoro-6-(trifluoromethoxy)phenol
CID 68960936
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
dichloromethane;1-isocyanato-2-(trifluoromethoxy)benzene
CID 158893316
O-[2-(trifluoromethoxy)phenyl]hydroxylamine;hydrochloride
CID 162421871

Frequently Asked Questions

What is the IUPAC name of N'-[2-(trifluoromethoxy)phenyl]ethanimidamide?
The IUPAC name of N'-[2-(trifluoromethoxy)phenyl]ethanimidamide (CID 63173340) is N'-[2-(trifluoromethoxy)phenyl]ethanimidamide.
What is the SMILES notation for N'-[2-(trifluoromethoxy)phenyl]ethanimidamide?
The canonical SMILES for N'-[2-(trifluoromethoxy)phenyl]ethanimidamide is C/C(N)=N\c1ccccc1OC(F)(F)F.
What is the InChIKey of N'-[2-(trifluoromethoxy)phenyl]ethanimidamide?
The InChIKey is JYZQHDKNFNBUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-6(13)14-7-4-2-3-5-8(7)15-9(10,11)12/h2-5H,1H3,(H2,13,14).
What are the key properties of N'-[2-(trifluoromethoxy)phenyl]ethanimidamide?
N'-[2-(trifluoromethoxy)phenyl]ethanimidamide has a molecular weight of 218.18 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(trifluoromethoxy)phenyl]ethanimidamide is sourced from PubChem (CID 63173340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).