2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene

C9H8F4S2 — CID 164892485

IUPAC2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
SMILESCSc1cc(C(F)(F)F)cc(SC)c1F
InChIInChI=1S/C9H8F4S2/c1-14-6-3-5(9(11,12)13)4-7(15-2)8(6)10/h3-4H,1-2H3
InChIKeyLGWKJIGHTIFGGG-UHFFFAOYSA-N
MW256.29 g/mol
LogP4.29
Rot. Bonds2

About 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene

2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene (PubChem CID 164892485) has the molecular formula C9H8F4S2 and a molecular weight of 256.29 g/mol. Its IUPAC name is 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
PubChem CID164892485
Molecular FormulaC9H8F4S2
Molecular Weight256.29 g/mol
Exact Mass256.00
IUPAC Name2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene
SMILESCSc1cc(C(F)(F)F)cc(SC)c1F
InChIInChI=1S/C9H8F4S2/c1-14-6-3-5(9(11,12)13)4-7(15-2)8(6)10/h3-4H,1-2H3
InChIKeyLGWKJIGHTIFGGG-UHFFFAOYSA-N
XLogP4.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-fluoro-3-methylsulfanyl-5-(trifluoromethyl)phenyl]boronic acid
CID 164891219
1-iodo-3-methylsulfanyl-2,5-bis(trifluoromethyl)benzene
CID 119011325
1-chloro-3-methylsulfanyl-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584199
1-chloro-2-methyl-3-methylsulfanyl-5-(trifluoromethyl)benzene;ethane
CID 142574142
1-bromo-2-methoxy-3-methylsulfanyl-5-(trifluoromethyl)benzene
CID 164895108
2-methylsulfanyl-4-(trifluoromethyl)benzoyl chloride
CID 15452082
2-methyl-6-methylsulfanyl-4-(trifluoromethyl)benzamide
CID 141180792
[2-methylsulfanyl-4-(trifluoromethyl)phenyl]methanamine
CID 162349795
2-fluoro-1,3,5-tris(trifluoromethyl)benzene
CID 12503713
2-[2-methylsulfanyl-4-(trifluoromethyl)phenyl]acetic acid
CID 91880981
2-methylsulfanyl-4,6-bis(trifluoromethyl)benzoic acid;2-methylsulfanyl-4,6-bis(trifluoromethyl)benzoyl chloride
CID 160775976
2-ethenyl-1-methylsulfanyl-4-(trifluoromethyl)benzene
CID 118269155

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene (CID 164892485) is 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene is CSc1cc(C(F)(F)F)cc(SC)c1F.
What is the InChIKey of 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene?
The InChIKey is LGWKJIGHTIFGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4S2/c1-14-6-3-5(9(11,12)13)4-7(15-2)8(6)10/h3-4H,1-2H3.
What are the key properties of 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene?
2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene has a molecular weight of 256.29 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-bis(methylsulfanyl)-5-(trifluoromethyl)benzene is sourced from PubChem (CID 164892485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).