N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide

C9H10F2N2S — CID 63173345

IUPACN'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(SC(F)F)cc1
InChIInChI=1S/C9H10F2N2S/c1-6(12)13-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H2,12,13)
InChIKeyALRBQCBBIUMIED-UHFFFAOYSA-N
MW216.26 g/mol
LogP3.01
Rot. Bonds3

About N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide

N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide (PubChem CID 63173345) has the molecular formula C9H10F2N2S and a molecular weight of 216.26 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide
PubChem CID63173345
Molecular FormulaC9H10F2N2S
Molecular Weight216.26 g/mol
Exact Mass216.05
IUPAC NameN'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide
SMILESC/C(N)=N\c1ccc(SC(F)F)cc1
InChIInChI=1S/C9H10F2N2S/c1-6(12)13-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H2,12,13)
InChIKeyALRBQCBBIUMIED-UHFFFAOYSA-N
XLogP3.01
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide?
The IUPAC name of N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide (CID 63173345) is N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide.
What is the SMILES notation for N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide?
The canonical SMILES for N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide is C/C(N)=N\c1ccc(SC(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide?
The InChIKey is ALRBQCBBIUMIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2S/c1-6(12)13-7-2-4-8(5-3-7)14-9(10)11/h2-5,9H,1H3,(H2,12,13).
What are the key properties of N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide?
N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide has a molecular weight of 216.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethylsulfanyl)phenyl]ethanimidamide is sourced from PubChem (CID 63173345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).