N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide

C9H4ClF7N2 — CID 22617169

IUPACN'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide
SMILESN/C(=N/c1c(F)cc(C(F)(F)F)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H4ClF7N2/c10-4-1-3(8(12,13)14)2-5(11)6(4)19-7(18)9(15,16)17/h1-2H,(H2,18,19)
InChIKeyMPTCEBRDFJANOL-UHFFFAOYSA-N
MW308.58 g/mol
LogP4.05
Rot. Bonds1

About N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide

N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide (PubChem CID 22617169) has the molecular formula C9H4ClF7N2 and a molecular weight of 308.58 g/mol. Its IUPAC name is N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide
PubChem CID22617169
Molecular FormulaC9H4ClF7N2
Molecular Weight308.58 g/mol
Exact Mass308.00
IUPAC NameN'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide
SMILESN/C(=N/c1c(F)cc(C(F)(F)F)cc1Cl)C(F)(F)F
InChIInChI=1S/C9H4ClF7N2/c10-4-1-3(8(12,13)14)2-5(11)6(4)19-7(18)9(15,16)17/h1-2H,(H2,18,19)
InChIKeyMPTCEBRDFJANOL-UHFFFAOYSA-N
XLogP4.05
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.58
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide (CID 22617169) is N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide is N/C(=N/c1c(F)cc(C(F)(F)F)cc1Cl)C(F)(F)F.
What is the InChIKey of N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide?
The InChIKey is MPTCEBRDFJANOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF7N2/c10-4-1-3(8(12,13)14)2-5(11)6(4)19-7(18)9(15,16)17/h1-2H,(H2,18,19).
What are the key properties of N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide?
N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide has a molecular weight of 308.58 g/mol, XLogP of 4.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-6-fluoro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 22617169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).