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

C11H14F2N2S — CID 63176087

IUPACN'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide
SMILESCCC/C(N)=N\c1ccc(SC(F)F)cc1
InChIInChI=1S/C11H14F2N2S/c1-2-3-10(14)15-8-4-6-9(7-5-8)16-11(12)13/h4-7,11H,2-3H2,1H3,(H2,14,15)
InChIKeyBLTZAMVOYOZNGU-UHFFFAOYSA-N
MW244.31 g/mol
LogP3.79
Rot. Bonds5

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

N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide (PubChem CID 63176087) has the molecular formula C11H14F2N2S and a molecular weight of 244.31 g/mol. Its IUPAC name is N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide.

Molecular Properties

Compound NameN'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide
PubChem CID63176087
Molecular FormulaC11H14F2N2S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC NameN'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide
SMILESCCC/C(N)=N\c1ccc(SC(F)F)cc1
InChIInChI=1S/C11H14F2N2S/c1-2-3-10(14)15-8-4-6-9(7-5-8)16-11(12)13/h4-7,11H,2-3H2,1H3,(H2,14,15)
InChIKeyBLTZAMVOYOZNGU-UHFFFAOYSA-N
XLogP3.79
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 53.79
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'}

Analyze N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide?
The IUPAC name of N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide (CID 63176087) is N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide.
What is the SMILES notation for N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide?
The canonical SMILES for N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide is CCC/C(N)=N\c1ccc(SC(F)F)cc1.
What is the InChIKey of N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide?
The InChIKey is BLTZAMVOYOZNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2S/c1-2-3-10(14)15-8-4-6-9(7-5-8)16-11(12)13/h4-7,11H,2-3H2,1H3,(H2,14,15).
What are the key properties of N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide?
N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide has a molecular weight of 244.31 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(difluoromethylsulfanyl)phenyl]butanimidamide is sourced from PubChem (CID 63176087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).