(2,6-difluorophenyl)methyl thiohypoiodite

C7H5F2IS — CID 143620116

IUPAC(2,6-difluorophenyl)methyl thiohypoiodite
SMILESFc1cccc(F)c1CSI
InChIInChI=1S/C7H5F2IS/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4H2
InChIKeyRWBLNRHECSDAKG-UHFFFAOYSA-N
MW286.08 g/mol
LogP3.55
Rot. Bonds2

About (2,6-difluorophenyl)methyl thiohypoiodite

(2,6-difluorophenyl)methyl thiohypoiodite (PubChem CID 143620116) has the molecular formula C7H5F2IS and a molecular weight of 286.08 g/mol. Its IUPAC name is (2,6-difluorophenyl)methyl thiohypoiodite.

Molecular Properties

Compound Name(2,6-difluorophenyl)methyl thiohypoiodite
PubChem CID143620116
Molecular FormulaC7H5F2IS
Molecular Weight286.08 g/mol
Exact Mass285.91
IUPAC Name(2,6-difluorophenyl)methyl thiohypoiodite
SMILESFc1cccc(F)c1CSI
InChIInChI=1S/C7H5F2IS/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4H2
InChIKeyRWBLNRHECSDAKG-UHFFFAOYSA-N
XLogP3.55
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.08
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
2-(2-chloroethylsulfanylmethyl)-1,3-difluorobenzene
CID 114935314
(2,6-difluorophenyl) thiohypoiodite
CID 146181225
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
4-[(2,6-difluorophenyl)methylsulfanyl]-3-fluoroaniline
CID 114930393
[3-[(2,6-difluorophenyl)methylsulfanyl]phenyl]methanamine
CID 114934314
(2,6-difluorophenyl)methanethiol;ethane
CID 178170499
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
2-[(2,6-difluorophenyl)methylsulfanyl]-6-methylsulfanylpyrimidin-4-amine
CID 23293839
2-[(2,6-difluorophenyl)methylsulfanyl]benzoic acid
CID 114929984
N-[(2,6-difluorophenyl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923249
(2,6-difluorophenyl)methyl hypochlorite
CID 70312638

Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)methyl thiohypoiodite?
The IUPAC name of (2,6-difluorophenyl)methyl thiohypoiodite (CID 143620116) is (2,6-difluorophenyl)methyl thiohypoiodite.
What is the SMILES notation for (2,6-difluorophenyl)methyl thiohypoiodite?
The canonical SMILES for (2,6-difluorophenyl)methyl thiohypoiodite is Fc1cccc(F)c1CSI.
What is the InChIKey of (2,6-difluorophenyl)methyl thiohypoiodite?
The InChIKey is RWBLNRHECSDAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2IS/c8-6-2-1-3-7(9)5(6)4-11-10/h1-3H,4H2.
What are the key properties of (2,6-difluorophenyl)methyl thiohypoiodite?
(2,6-difluorophenyl)methyl thiohypoiodite has a molecular weight of 286.08 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)methyl thiohypoiodite is sourced from PubChem (CID 143620116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).