2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide

C9H9F3N2 — CID 58152712

IUPAC2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide
SMILESN/C(=N/Cc1ccc(F)cc1)C(F)F
InChIInChI=1S/C9H9F3N2/c10-7-3-1-6(2-4-7)5-14-9(13)8(11)12/h1-4,8H,5H2,(H2,13,14)
InChIKeyRXDPULQFUWLPRS-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.95
Rot. Bonds3

About 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide

2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide (PubChem CID 58152712) has the molecular formula C9H9F3N2 and a molecular weight of 202.18 g/mol. Its IUPAC name is 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide.

Molecular Properties

Compound Name2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide
PubChem CID58152712
Molecular FormulaC9H9F3N2
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide
SMILESN/C(=N/Cc1ccc(F)cc1)C(F)F
InChIInChI=1S/C9H9F3N2/c10-7-3-1-6(2-4-7)5-14-9(13)8(11)12/h1-4,8H,5H2,(H2,13,14)
InChIKeyRXDPULQFUWLPRS-UHFFFAOYSA-N
XLogP1.95
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.95
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 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide?
The IUPAC name of 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide (CID 58152712) is 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide.
What is the SMILES notation for 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide?
The canonical SMILES for 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide is N/C(=N/Cc1ccc(F)cc1)C(F)F.
What is the InChIKey of 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide?
The InChIKey is RXDPULQFUWLPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2/c10-7-3-1-6(2-4-7)5-14-9(13)8(11)12/h1-4,8H,5H2,(H2,13,14).
What are the key properties of 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide?
2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide has a molecular weight of 202.18 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N'-[(4-fluorophenyl)methyl]ethanimidamide is sourced from PubChem (CID 58152712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).