2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide

C10H10ClF3N2 — CID 169365217

IUPAC2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide
SMILESCc1ccc(/N=C(/N)CCl)cc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2/c1-6-2-3-7(16-9(15)5-11)4-8(6)10(12,13)14/h2-4H,5H2,1H3,(H2,15,16)
InChIKeyOXBBBLKXYDFNOJ-UHFFFAOYSA-N
MW250.65 g/mol
LogP3.24
Rot. Bonds2

About 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide

2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 169365217) has the molecular formula C10H10ClF3N2 and a molecular weight of 250.65 g/mol. Its IUPAC name is 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID169365217
Molecular FormulaC10H10ClF3N2
Molecular Weight250.65 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide
SMILESCc1ccc(/N=C(/N)CCl)cc1C(F)(F)F
InChIInChI=1S/C10H10ClF3N2/c1-6-2-3-7(16-9(15)5-11)4-8(6)10(12,13)14/h2-4H,5H2,1H3,(H2,15,16)
InChIKeyOXBBBLKXYDFNOJ-UHFFFAOYSA-N
XLogP3.24
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.65
LogP ≤ 53.24
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide (CID 169365217) is 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide is Cc1ccc(/N=C(/N)CCl)cc1C(F)(F)F.
What is the InChIKey of 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is OXBBBLKXYDFNOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2/c1-6-2-3-7(16-9(15)5-11)4-8(6)10(12,13)14/h2-4H,5H2,1H3,(H2,15,16).
What are the key properties of 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide?
2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 250.65 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N'-[4-methyl-3-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 169365217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).