phenyl N,N-difluorocarbamodithioate

C7H5F2NS2 — CID 87641892

IUPACphenyl N,N-difluorocarbamodithioate
SMILESFN(F)C(=S)Sc1ccccc1
InChIInChI=1S/C7H5F2NS2/c8-10(9)7(11)12-6-4-2-1-3-5-6/h1-5H
InChIKeyYHCQMXORNHDUCU-UHFFFAOYSA-N
MW205.25 g/mol
LogP3.13
Rot. Bonds1

About phenyl N,N-difluorocarbamodithioate

phenyl N,N-difluorocarbamodithioate (PubChem CID 87641892) has the molecular formula C7H5F2NS2 and a molecular weight of 205.25 g/mol. Its IUPAC name is phenyl N,N-difluorocarbamodithioate.

Molecular Properties

Compound Namephenyl N,N-difluorocarbamodithioate
PubChem CID87641892
Molecular FormulaC7H5F2NS2
Molecular Weight205.25 g/mol
Exact Mass204.98
IUPAC Namephenyl N,N-difluorocarbamodithioate
SMILESFN(F)C(=S)Sc1ccccc1
InChIInChI=1S/C7H5F2NS2/c8-10(9)7(11)12-6-4-2-1-3-5-6/h1-5H
InChIKeyYHCQMXORNHDUCU-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl N,N-difluorocarbamodithioate?
The IUPAC name of phenyl N,N-difluorocarbamodithioate (CID 87641892) is phenyl N,N-difluorocarbamodithioate.
What is the SMILES notation for phenyl N,N-difluorocarbamodithioate?
The canonical SMILES for phenyl N,N-difluorocarbamodithioate is FN(F)C(=S)Sc1ccccc1.
What is the InChIKey of phenyl N,N-difluorocarbamodithioate?
The InChIKey is YHCQMXORNHDUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NS2/c8-10(9)7(11)12-6-4-2-1-3-5-6/h1-5H.
What are the key properties of phenyl N,N-difluorocarbamodithioate?
phenyl N,N-difluorocarbamodithioate has a molecular weight of 205.25 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N,N-difluorocarbamodithioate is sourced from PubChem (CID 87641892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).