difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane

C8H7F3S — CID 18717599

IUPACdifluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane
SMILESCc1ccc(S(F)=C(F)F)cc1
InChIInChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12(11)8(9)10/h2-5H,1H3
InChIKeyMHYAVIGUIWXXSI-UHFFFAOYSA-N
MW192.21 g/mol
LogP3.53
Rot. Bonds1

About difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane

difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane (PubChem CID 18717599) has the molecular formula C8H7F3S and a molecular weight of 192.21 g/mol. Its IUPAC name is difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane.

Molecular Properties

Compound Namedifluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane
PubChem CID18717599
Molecular FormulaC8H7F3S
Molecular Weight192.21 g/mol
Exact Mass192.02
IUPAC Namedifluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane
SMILESCc1ccc(S(F)=C(F)F)cc1
InChIInChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12(11)8(9)10/h2-5H,1H3
InChIKeyMHYAVIGUIWXXSI-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
1-(1-fluoroethenylsulfinyl)-4-methylbenzene
CID 643270
ethane;methanol;1,4-xylene
CID 171074418
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
CID 91610736
methyl-methylidene-(4-methylphenyl)-λ4-sulfane
CID 59881740
cobalt;bis(1,4-xylene)
CID 67859603
platinum;1,4-xylene
CID 173034643
methane;pentakis(1,4-xylene)
CID 160760083
1-methyl-4-[(E)-1,3,3,3-tetrafluoro-2-methylprop-1-enyl]sulfinylbenzene
CID 139250759
1-(difluoromethylsulfinyl)-4-methylbenzene
CID 586872
4-[methylidene-(4-methylphenyl)-λ4-sulfanyl]phenol
CID 23393374
1-[(S)-[(E)-1-fluoropent-1-enyl]sulfinyl]-4-methylbenzene
CID 10585341

Frequently Asked Questions

What is the IUPAC name of difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane?
The IUPAC name of difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane (CID 18717599) is difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane.
What is the SMILES notation for difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane?
The canonical SMILES for difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane is Cc1ccc(S(F)=C(F)F)cc1.
What is the InChIKey of difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane?
The InChIKey is MHYAVIGUIWXXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3S/c1-6-2-4-7(5-3-6)12(11)8(9)10/h2-5H,1H3.
What are the key properties of difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane?
difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane has a molecular weight of 192.21 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for difluoromethylidene-fluoro-(4-methylphenyl)-lambda4-sulfane is sourced from PubChem (CID 18717599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).