2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide

C9H7ClF4N2 — CID 169365215

IUPAC2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H7ClF4N2/c10-4-8(15)16-7-2-1-5(3-6(7)11)9(12,13)14/h1-3H,4H2,(H2,15,16)
InChIKeyFXNKLUISFNNRAW-UHFFFAOYSA-N
MW254.61 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169365215) has the molecular formula C9H7ClF4N2 and a molecular weight of 254.61 g/mol. Its IUPAC name is 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169365215
Molecular FormulaC9H7ClF4N2
Molecular Weight254.61 g/mol
Exact Mass254.02
IUPAC Name2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide
SMILESN/C(CCl)=N/c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C9H7ClF4N2/c10-4-8(15)16-7-2-1-5(3-6(7)11)9(12,13)14/h1-3H,4H2,(H2,15,16)
InChIKeyFXNKLUISFNNRAW-UHFFFAOYSA-N
XLogP3.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.61
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-(sulfanylmethyl)-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169368162
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'-(5-chloro-2,4-difluorophenyl)ethanimidamide
CID 169365117
2-chloro-N'-[2,3,4-trifluoro-5-(trifluoromethyl)phenyl]ethanimidamide
CID 169366173
N'-[2-bromo-5-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-2-chloroethanimidamide
CID 169369356
N'-[3,5-bis(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169369581
2-chloro-N'-(2,3,4-trifluorophenyl)ethanimidamide
CID 169364913
2-[2-fluoro-5-(trifluoromethyl)phenyl]guanidine
CID 22120088
N'-[2-(anilinocarbamoyl)-4-(trifluoromethyl)phenyl]-2-chloroethanimidamide
CID 169368384
2-chloro-N'-[2,4-dichloro-3-(trifluoromethyl)phenyl]ethanimidamide
CID 169366495
2-[2-fluoro-4-(trifluoromethyl)phenyl]-N'-hydroxyethanimidamide
CID 91755373

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide (CID 169365215) is 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide is N/C(CCl)=N/c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is FXNKLUISFNNRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF4N2/c10-4-8(15)16-7-2-1-5(3-6(7)11)9(12,13)14/h1-3H,4H2,(H2,15,16).
What are the key properties of 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 254.61 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[2-fluoro-4-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169365215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).