[2-(difluoromethylsulfanyl)phenyl]cyanamide

C8H6F2N2S — CID 62483070

IUPAC[2-(difluoromethylsulfanyl)phenyl]cyanamide
SMILESN#CNc1ccccc1SC(F)F
InChIInChI=1S/C8H6F2N2S/c9-8(10)13-7-4-2-1-3-6(7)12-5-11/h1-4,8,12H
InChIKeyFSGMORVQRZATJU-UHFFFAOYSA-N
MW200.21 g/mol
LogP2.89
Rot. Bonds3

About [2-(difluoromethylsulfanyl)phenyl]cyanamide

[2-(difluoromethylsulfanyl)phenyl]cyanamide (PubChem CID 62483070) has the molecular formula C8H6F2N2S and a molecular weight of 200.21 g/mol. Its IUPAC name is [2-(difluoromethylsulfanyl)phenyl]cyanamide.

Molecular Properties

Compound Name[2-(difluoromethylsulfanyl)phenyl]cyanamide
PubChem CID62483070
Molecular FormulaC8H6F2N2S
Molecular Weight200.21 g/mol
Exact Mass200.02
IUPAC Name[2-(difluoromethylsulfanyl)phenyl]cyanamide
SMILESN#CNc1ccccc1SC(F)F
InChIInChI=1S/C8H6F2N2S/c9-8(10)13-7-4-2-1-3-6(7)12-5-11/h1-4,8,12H
InChIKeyFSGMORVQRZATJU-UHFFFAOYSA-N
XLogP2.89
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethylsulfanyl)-N-methylaniline
CID 28573572
3-[[2-(difluoromethylsulfanyl)anilino]methyl]-2-fluorobenzonitrile
CID 107114345
(2-fluorophenyl)cyanamide
CID 54590721
3-amino-4-[2-(difluoromethylsulfanyl)anilino]benzonitrile
CID 43518077
2-[2-(difluoromethylsulfanyl)anilino]-5-methylbenzonitrile
CID 107926868
3-[2-(difluoromethylsulfanyl)anilino]-5-fluorobenzonitrile
CID 102814926
2-[1-[[2-(difluoromethylsulfanyl)anilino]methyl]cyclopropyl]acetonitrile
CID 65481138
4-[[2-(difluoromethylsulfanyl)anilino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202488
2-[2-(difluoromethylsulfanyl)anilino]-4-methoxybenzonitrile
CID 81296342
N-[2-(difluoromethylsulfanyl)phenyl]prop-2-enamide
CID 43616310
[2-(trifluoromethyl)phenyl]cyanamide
CID 12503114
N-[2-[2-(difluoromethylsulfanyl)anilino]ethyl]acetamide
CID 107529067

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfanyl)phenyl]cyanamide?
The IUPAC name of [2-(difluoromethylsulfanyl)phenyl]cyanamide (CID 62483070) is [2-(difluoromethylsulfanyl)phenyl]cyanamide.
What is the SMILES notation for [2-(difluoromethylsulfanyl)phenyl]cyanamide?
The canonical SMILES for [2-(difluoromethylsulfanyl)phenyl]cyanamide is N#CNc1ccccc1SC(F)F.
What is the InChIKey of [2-(difluoromethylsulfanyl)phenyl]cyanamide?
The InChIKey is FSGMORVQRZATJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2S/c9-8(10)13-7-4-2-1-3-6(7)12-5-11/h1-4,8,12H.
What are the key properties of [2-(difluoromethylsulfanyl)phenyl]cyanamide?
[2-(difluoromethylsulfanyl)phenyl]cyanamide has a molecular weight of 200.21 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfanyl)phenyl]cyanamide is sourced from PubChem (CID 62483070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).