2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene

C16H16F2OS — CID 68920495

IUPAC2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene
SMILESCCc1cc(F)ccc1S(=O)c1ccc(F)cc1CC
InChIInChI=1S/C16H16F2OS/c1-3-11-9-13(17)5-7-15(11)20(19)16-8-6-14(18)10-12(16)4-2/h5-10H,3-4H2,1-2H3
InChIKeyYWDHRGRRMAXODA-UHFFFAOYSA-N
MW294.37 g/mol
LogP4.26
Rot. Bonds4

About 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene

2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene (PubChem CID 68920495) has the molecular formula C16H16F2OS and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene.

Molecular Properties

Compound Name2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene
PubChem CID68920495
Molecular FormulaC16H16F2OS
Molecular Weight294.37 g/mol
Exact Mass294.09
IUPAC Name2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene
SMILESCCc1cc(F)ccc1S(=O)c1ccc(F)cc1CC
InChIInChI=1S/C16H16F2OS/c1-3-11-9-13(17)5-7-15(11)20(19)16-8-6-14(18)10-12(16)4-2/h5-10H,3-4H2,1-2H3
InChIKeyYWDHRGRRMAXODA-UHFFFAOYSA-N
XLogP4.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene?
The IUPAC name of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene (CID 68920495) is 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene.
What is the SMILES notation for 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene?
The canonical SMILES for 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene is CCc1cc(F)ccc1S(=O)c1ccc(F)cc1CC.
What is the InChIKey of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene?
The InChIKey is YWDHRGRRMAXODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2OS/c1-3-11-9-13(17)5-7-15(11)20(19)16-8-6-14(18)10-12(16)4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene?
2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene has a molecular weight of 294.37 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-ethyl-4-fluorophenyl)sulfinyl-4-fluorobenzene is sourced from PubChem (CID 68920495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).