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

C10H12F2N2S — CID 63176086

IUPACN'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide
SMILESCC/C(N)=N\c1ccc(SC(F)F)cc1
InChIInChI=1S/C10H12F2N2S/c1-2-9(13)14-7-3-5-8(6-4-7)15-10(11)12/h3-6,10H,2H2,1H3,(H2,13,14)
InChIKeyWSKOXAXXTIOIRK-UHFFFAOYSA-N
MW230.28 g/mol
LogP3.40
Rot. Bonds4

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

N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide (PubChem CID 63176086) has the molecular formula C10H12F2N2S and a molecular weight of 230.28 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide
PubChem CID63176086
Molecular FormulaC10H12F2N2S
Molecular Weight230.28 g/mol
Exact Mass230.07
IUPAC NameN'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide
SMILESCC/C(N)=N\c1ccc(SC(F)F)cc1
InChIInChI=1S/C10H12F2N2S/c1-2-9(13)14-7-3-5-8(6-4-7)15-10(11)12/h3-6,10H,2H2,1H3,(H2,13,14)
InChIKeyWSKOXAXXTIOIRK-UHFFFAOYSA-N
XLogP3.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 53.40
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]propanimidamide?
The IUPAC name of N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide (CID 63176086) is N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide.
What is the SMILES notation for N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide?
The canonical SMILES for N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide is CC/C(N)=N\c1ccc(SC(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide?
The InChIKey is WSKOXAXXTIOIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2S/c1-2-9(13)14-7-3-5-8(6-4-7)15-10(11)12/h3-6,10H,2H2,1H3,(H2,13,14).
What are the key properties of N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide?
N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide has a molecular weight of 230.28 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethylsulfanyl)phenyl]propanimidamide is sourced from PubChem (CID 63176086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).