(4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane

C20H19FS — CID 167163023

IUPAC(4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane
SMILESCCc1ccc(S(F)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19FS/c1-2-17-13-15-20(16-14-17)22(21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,2H2,1H3
InChIKeyJCXZXGOGPNLPOS-UHFFFAOYSA-N
MW310.44 g/mol
LogP6.42
Rot. Bonds4

About (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane

(4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane (PubChem CID 167163023) has the molecular formula C20H19FS and a molecular weight of 310.44 g/mol. Its IUPAC name is (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane.

Molecular Properties

Compound Name(4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane
PubChem CID167163023
Molecular FormulaC20H19FS
Molecular Weight310.44 g/mol
Exact Mass310.12
IUPAC Name(4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane
SMILESCCc1ccc(S(F)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C20H19FS/c1-2-17-13-15-20(16-14-17)22(21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,2H2,1H3
InChIKeyJCXZXGOGPNLPOS-UHFFFAOYSA-N
XLogP6.42
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.44
LogP ≤ 56.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane?
The IUPAC name of (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane (CID 167163023) is (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane.
What is the SMILES notation for (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane?
The canonical SMILES for (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane is CCc1ccc(S(F)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane?
The InChIKey is JCXZXGOGPNLPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FS/c1-2-17-13-15-20(16-14-17)22(21,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-16H,2H2,1H3.
What are the key properties of (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane?
(4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane has a molecular weight of 310.44 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylphenyl)-fluoro-diphenyl-λ4-sulfane is sourced from PubChem (CID 167163023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).