2-[4-(trifluoromethyl)phenyl]ethanimidamide

C9H9F3N2 — CID 5014974

IUPAC2-[4-(trifluoromethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H3,13,14)
InChIKeyLMYOUSCGIALYOB-UHFFFAOYSA-N
MW202.18 g/mol
LogP2.18
Rot. Bonds2

About 2-[4-(trifluoromethyl)phenyl]ethanimidamide

2-[4-(trifluoromethyl)phenyl]ethanimidamide (PubChem CID 5014974) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]ethanimidamide.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]ethanimidamide
PubChem CID5014974
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2-[4-(trifluoromethyl)phenyl]ethanimidamide
SMILES[H]/N=C(\N)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H9F3N2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H3,13,14)
InChIKeyLMYOUSCGIALYOB-UHFFFAOYSA-N
XLogP2.18
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 52.18
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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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanimidamide?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]ethanimidamide (CID 5014974) is 2-[4-(trifluoromethyl)phenyl]ethanimidamide.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]ethanimidamide?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]ethanimidamide is [H]/N=C(\N)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]ethanimidamide?
The InChIKey is LMYOUSCGIALYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-9(11,12)7-3-1-6(2-4-7)5-8(13)14/h1-4H,5H2,(H3,13,14).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]ethanimidamide?
2-[4-(trifluoromethyl)phenyl]ethanimidamide has a molecular weight of 202.18 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]ethanimidamide is sourced from PubChem (CID 5014974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).