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

C14H12F2N2S — CID 63176206

IUPACN'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccc(SC(F)F)cc1)c1ccccc1
InChIInChI=1S/C14H12F2N2S/c15-14(16)19-12-8-6-11(7-9-12)18-13(17)10-4-2-1-3-5-10/h1-9,14H,(H2,17,18)
InChIKeyXFHGYKQEJVUTKZ-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.04
Rot. Bonds4

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

N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide (PubChem CID 63176206) has the molecular formula C14H12F2N2S and a molecular weight of 278.33 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
PubChem CID63176206
Molecular FormulaC14H12F2N2S
Molecular Weight278.33 g/mol
Exact Mass278.07
IUPAC NameN'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide
SMILESN/C(=N\c1ccc(SC(F)F)cc1)c1ccccc1
InChIInChI=1S/C14H12F2N2S/c15-14(16)19-12-8-6-11(7-9-12)18-13(17)10-4-2-1-3-5-10/h1-9,14H,(H2,17,18)
InChIKeyXFHGYKQEJVUTKZ-UHFFFAOYSA-N
XLogP4.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.04
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]benzenecarboximidamide?
The IUPAC name of N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide (CID 63176206) is N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide.
What is the SMILES notation for N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide?
The canonical SMILES for N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide is N/C(=N\c1ccc(SC(F)F)cc1)c1ccccc1.
What is the InChIKey of N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide?
The InChIKey is XFHGYKQEJVUTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2S/c15-14(16)19-12-8-6-11(7-9-12)18-13(17)10-4-2-1-3-5-10/h1-9,14H,(H2,17,18).
What are the key properties of N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide?
N'-[4-(difluoromethylsulfanyl)phenyl]benzenecarboximidamide has a molecular weight of 278.33 g/mol, XLogP of 4.04, 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]benzenecarboximidamide is sourced from PubChem (CID 63176206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).