2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide

C10H9ClF4N2O — CID 169367038

IUPAC2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
SMILESCOc1cc(/N=C(/N)CCl)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF4N2O/c1-18-5-2-6(10(13,14)15)9(12)7(3-5)17-8(16)4-11/h2-3H,4H2,1H3,(H2,16,17)
InChIKeyLHIARQGYSIWFMZ-UHFFFAOYSA-N
MW284.64 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169367038) has the molecular formula C10H9ClF4N2O and a molecular weight of 284.64 g/mol. Its IUPAC name is 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169367038
Molecular FormulaC10H9ClF4N2O
Molecular Weight284.64 g/mol
Exact Mass284.03
IUPAC Name2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide
SMILESCOc1cc(/N=C(/N)CCl)c(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H9ClF4N2O/c1-18-5-2-6(10(13,14)15)9(12)7(3-5)17-8(16)4-11/h2-3H,4H2,1H3,(H2,16,17)
InChIKeyLHIARQGYSIWFMZ-UHFFFAOYSA-N
XLogP3.08
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.64
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
2-chloro-N'-[2-methoxy-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169369585
2-chloro-N'-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169366975
2-chloro-N'-[4-propan-2-yl-2-(trifluoromethyl)phenyl]ethanimidamide
CID 169365282
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
CID 169365215
[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]boronic acid
CID 56776556
N'-[2-bromo-5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-2-chloroethanimidamide
CID 169369356
2-chloro-N'-(5-chloro-2,3-difluorophenyl)ethanimidamide
CID 169369622
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581
4-methoxy-2,6-bis(trifluoromethyl)phenol
CID 134639085
[3-[(1-amino-2-chloroethylidene)amino]-4-fluorophenyl] acetate
CID 169368794
2-chloro-N'-(3-fluoro-2,4-dimethylphenyl)ethanimidamide
CID 169368780

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide (CID 169367038) is 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide is COc1cc(/N=C(/N)CCl)c(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is LHIARQGYSIWFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF4N2O/c1-18-5-2-6(10(13,14)15)9(12)7(3-5)17-8(16)4-11/h2-3H,4H2,1H3,(H2,16,17).
What are the key properties of 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 284.64 g/mol, XLogP of 3.08, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-fluoro-5-methoxy-3-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169367038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).