[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane

C9H10F4S2 — CID 123175076

IUPAC[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane
SMILESCS(C)(S)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C9H10F4S2/c1-15(2,14)7-5-3-4-6(8(7)10)9(11,12)13/h3-5,14H,1-2H3
InChIKeyPPVPBZDVGAZNMW-UHFFFAOYSA-N
MW258.31 g/mol
LogP4.11
Rot. Bonds1

About [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane

[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane (PubChem CID 123175076) has the molecular formula C9H10F4S2 and a molecular weight of 258.31 g/mol. Its IUPAC name is [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Name[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane
PubChem CID123175076
Molecular FormulaC9H10F4S2
Molecular Weight258.31 g/mol
Exact Mass258.02
IUPAC Name[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane
SMILESCS(C)(S)c1cccc(C(F)(F)F)c1F
InChIInChI=1S/C9H10F4S2/c1-15(2,14)7-5-3-4-6(8(7)10)9(11,12)13/h3-5,14H,1-2H3
InChIKeyPPVPBZDVGAZNMW-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-fluoro-3-(trifluoromethyl)phenyl]-2-methylpropan-1-ol
CID 117344265
1-(2,2-dimethylpropyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 121403127
2-fluoro-1-methoxy-3-(trifluoromethyl)benzene
CID 2774768
(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 171242278
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
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1,2,3,4,5-pentafluoro-6-[2-methyl-3-(trifluoromethyl)phenyl]benzene
CID 134620901
[2-fluoro-3-(trifluoromethyl)anilino]methanol
CID 143384342
1-(dibromomethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 175976807
1-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)benzene;hydrofluoride
CID 174776412
4-[2-fluoro-3-(trifluoromethyl)phenyl]but-3-ene-1-thiol
CID 170478823
1-tert-butyl-2-chloro-3-(trifluoromethyl)benzene
CID 58837040
1-[difluoro(iodo)methyl]-2-methyl-3-(trifluoromethyl)benzene
CID 129042574

Frequently Asked Questions

What is the IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane?
The IUPAC name of [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane (CID 123175076) is [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane.
What is the SMILES notation for [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane?
The canonical SMILES for [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane is CS(C)(S)c1cccc(C(F)(F)F)c1F.
What is the InChIKey of [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane?
The InChIKey is PPVPBZDVGAZNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4S2/c1-15(2,14)7-5-3-4-6(8(7)10)9(11,12)13/h3-5,14H,1-2H3.
What are the key properties of [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane?
[2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane has a molecular weight of 258.31 g/mol, XLogP of 4.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-3-(trifluoromethyl)phenyl]-dimethyl-sulfanyl-λ4-sulfane is sourced from PubChem (CID 123175076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).