(2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone

C19H13FOS — CID 135016683

IUPAC(2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)cccc1Sc1ccccc1
InChIInChI=1S/C19H13FOS/c20-16-12-7-13-17(22-15-10-5-2-6-11-15)18(16)19(21)14-8-3-1-4-9-14/h1-13H
InChIKeyQMFRSTIWOQMPAX-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.21
Rot. Bonds4

About (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone

(2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone (PubChem CID 135016683) has the molecular formula C19H13FOS and a molecular weight of 308.38 g/mol. Its IUPAC name is (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone
PubChem CID135016683
Molecular FormulaC19H13FOS
Molecular Weight308.38 g/mol
Exact Mass308.07
IUPAC Name(2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1c(F)cccc1Sc1ccccc1
InChIInChI=1S/C19H13FOS/c20-16-12-7-13-17(22-15-10-5-2-6-11-15)18(16)19(21)14-8-3-1-4-9-14/h1-13H
InChIKeyQMFRSTIWOQMPAX-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone?
The IUPAC name of (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone (CID 135016683) is (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone.
What is the SMILES notation for (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone?
The canonical SMILES for (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone is O=C(c1ccccc1)c1c(F)cccc1Sc1ccccc1.
What is the InChIKey of (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone?
The InChIKey is QMFRSTIWOQMPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FOS/c20-16-12-7-13-17(22-15-10-5-2-6-11-15)18(16)19(21)14-8-3-1-4-9-14/h1-13H.
What are the key properties of (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone?
(2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone has a molecular weight of 308.38 g/mol, XLogP of 5.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-phenylsulfanylphenyl)-phenylmethanone is sourced from PubChem (CID 135016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).