difluoro(iodo)methanethiol

CHF2IS — CID 130286660

IUPACdifluoro(iodo)methanethiol
SMILESFC(F)(S)I
InChIInChI=1S/CHF2IS/c2-1(3,4)5/h5H
InChIKeyYLFVEWJNESKJFG-UHFFFAOYSA-N
MW209.99 g/mol
LogP1.90
Rot. Bonds

About difluoro(iodo)methanethiol

difluoro(iodo)methanethiol (PubChem CID 130286660) has the molecular formula CHF2IS and a molecular weight of 209.99 g/mol. Its IUPAC name is difluoro(iodo)methanethiol.

Molecular Properties

Compound Namedifluoro(iodo)methanethiol
PubChem CID130286660
Molecular FormulaCHF2IS
Molecular Weight209.99 g/mol
Exact Mass209.88
IUPAC Namedifluoro(iodo)methanethiol
SMILESFC(F)(S)I
InChIInChI=1S/CHF2IS/c2-1(3,4)5/h5H
InChIKeyYLFVEWJNESKJFG-UHFFFAOYSA-N
XLogP1.90
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.99
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of difluoro(iodo)methanethiol?
The IUPAC name of difluoro(iodo)methanethiol (CID 130286660) is difluoro(iodo)methanethiol.
What is the SMILES notation for difluoro(iodo)methanethiol?
The canonical SMILES for difluoro(iodo)methanethiol is FC(F)(S)I.
What is the InChIKey of difluoro(iodo)methanethiol?
The InChIKey is YLFVEWJNESKJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/CHF2IS/c2-1(3,4)5/h5H.
What are the key properties of difluoro(iodo)methanethiol?
difluoro(iodo)methanethiol has a molecular weight of 209.99 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for difluoro(iodo)methanethiol is sourced from PubChem (CID 130286660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).