1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene

C16H12F6OS — CID 154703356

IUPAC1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
SMILESO=S(Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F6OS/c17-15(18,19)13-7-3-1-5-11(13)9-24(23)10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2
InChIKeyMPKMQUZDRFGZAR-UHFFFAOYSA-N
MW366.33 g/mol
LogP5.17
Rot. Bonds4

About 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene

1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene (PubChem CID 154703356) has the molecular formula C16H12F6OS and a molecular weight of 366.33 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
PubChem CID154703356
Molecular FormulaC16H12F6OS
Molecular Weight366.33 g/mol
Exact Mass366.05
IUPAC Name1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene
SMILESO=S(Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C16H12F6OS/c17-15(18,19)13-7-3-1-5-11(13)9-24(23)10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2
InChIKeyMPKMQUZDRFGZAR-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.33
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-methyl-3-[[(R)-[2-(trifluoromethyl)phenyl]methylsulfinyl]methyl]-1,2-oxazole
CID 95062171
1-(trifluoromethyl)-2-[2-[2-(trifluoromethyl)phenyl]ethyl]benzene
CID 2773232
1-propyl-5-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]tetrazole
CID 86927239
ethane;bis(1-(fluoromethyl)-2-(trifluoromethyl)benzene)
CID 145008249
2-[2-(trifluoromethyl)phenyl]acetyl bromide
CID 141376906
methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
O-[[2-(trifluoromethyl)phenyl]methyl]hydroxylamine;hydrochloride
CID 18525982
2-ethylsulfinyl-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 113236210
[2-(trifluoromethyl)phenyl]methanesulfonic acid
CID 86065127
bis[[2-(trifluoromethyl)phenyl]methyl] benzene-1,2-dicarboxylate
CID 91754080
methyl 2-oxo-3-[2-(trifluoromethyl)phenyl]propanoate
CID 18370722
4-[2-(trifluoromethyl)phenyl]but-2-yn-1-ol
CID 117265427

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The IUPAC name of 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene (CID 154703356) is 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene is O=S(Cc1ccccc1C(F)(F)F)Cc1ccccc1C(F)(F)F.
What is the InChIKey of 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
The InChIKey is MPKMQUZDRFGZAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6OS/c17-15(18,19)13-7-3-1-5-11(13)9-24(23)10-12-6-2-4-8-14(12)16(20,21)22/h1-8H,9-10H2.
What are the key properties of 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene?
1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene has a molecular weight of 366.33 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-[[2-(trifluoromethyl)phenyl]methylsulfinylmethyl]benzene is sourced from PubChem (CID 154703356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).