1-fluoro-3-(4-methylsulfanylphenoxy)benzene

C13H11FOS — CID 138722497

IUPAC1-fluoro-3-(4-methylsulfanylphenoxy)benzene
SMILESCSc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C13H11FOS/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9H,1H3
InChIKeyBLXRSCSHUUTZCE-UHFFFAOYSA-N
MW234.29 g/mol
LogP4.34
Rot. Bonds3

About 1-fluoro-3-(4-methylsulfanylphenoxy)benzene

1-fluoro-3-(4-methylsulfanylphenoxy)benzene (PubChem CID 138722497) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-fluoro-3-(4-methylsulfanylphenoxy)benzene.

Molecular Properties

Compound Name1-fluoro-3-(4-methylsulfanylphenoxy)benzene
PubChem CID138722497
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name1-fluoro-3-(4-methylsulfanylphenoxy)benzene
SMILESCSc1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C13H11FOS/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9H,1H3
InChIKeyBLXRSCSHUUTZCE-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
1-fluoro-3-(3-iodophenoxy)benzene
CID 118960389
1-chloro-2-fluoro-4-(3-fluorophenoxy)benzene
CID 121472039
5-fluoro-2-(4-methylsulfanylphenoxy)aniline
CID 63649631
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866
1-fluoro-3-phenoxybenzene;1-phenoxy-3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenoxy]benzene
CID 160906545
methyl 4-(3-fluorophenoxy)benzenecarboximidate
CID 82294589
2-fluoro-5-(3-fluorophenoxy)benzoic acid
CID 170721916
[3-(3-fluorophenoxy)phenyl]methanol
CID 13255235
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(4-methylsulfanylphenoxy)benzene?
The IUPAC name of 1-fluoro-3-(4-methylsulfanylphenoxy)benzene (CID 138722497) is 1-fluoro-3-(4-methylsulfanylphenoxy)benzene.
What is the SMILES notation for 1-fluoro-3-(4-methylsulfanylphenoxy)benzene?
The canonical SMILES for 1-fluoro-3-(4-methylsulfanylphenoxy)benzene is CSc1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of 1-fluoro-3-(4-methylsulfanylphenoxy)benzene?
The InChIKey is BLXRSCSHUUTZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9H,1H3.
What are the key properties of 1-fluoro-3-(4-methylsulfanylphenoxy)benzene?
1-fluoro-3-(4-methylsulfanylphenoxy)benzene has a molecular weight of 234.29 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(4-methylsulfanylphenoxy)benzene is sourced from PubChem (CID 138722497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).