2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide

C9H8ClF3N2 — CID 91755508

IUPAC2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H8ClF3N2/c10-7-2-1-6(9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H3,14,15)
InChIKeyGNOASTZDYABDEI-UHFFFAOYSA-N
MW236.62 g/mol
LogP2.84
Rot. Bonds2

About 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide

2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 91755508) has the molecular formula C9H8ClF3N2 and a molecular weight of 236.62 g/mol. Its IUPAC name is 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID91755508
Molecular FormulaC9H8ClF3N2
Molecular Weight236.62 g/mol
Exact Mass236.03
IUPAC Name2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C9H8ClF3N2/c10-7-2-1-6(9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H3,14,15)
InChIKeyGNOASTZDYABDEI-UHFFFAOYSA-N
XLogP2.84
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.62
LogP ≤ 52.84
H-Bond Donors ≤ 52
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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Related Compounds

2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
CID 158087990
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]thiohydroxylamine
CID 148766758
3-[2-chloro-5-(trifluoromethyl)phenyl]propan-1-amine
CID 66832871
acetic acid;2-[[2-chloro-5-(trifluoromethyl)phenyl]methylideneamino]ethanimidamide
CID 161150838
potassium [2-chloro-5-(trifluoromethyl)phenyl]methyl-trifluoroboranuide
CID 171374127
2-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]propanedioic acid
CID 170895454
2-[(2Z)-2,4-bis(trifluoromethyl)penta-2,4-dienyl]-1-chloro-4-(trifluoromethyl)benzene
CID 163683256
1-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylmethanamine;hydrochloride
CID 131739278
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfinyl chloride
CID 143805347
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide (CID 91755508) is 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is GNOASTZDYABDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N2/c10-7-2-1-6(9(11,12)13)3-5(7)4-8(14)15/h1-3H,4H2,(H3,14,15).
What are the key properties of 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide?
2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 236.62 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-5-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 91755508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).