1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene

C14H10F4O3S — CID 173140942

IUPAC1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F4O3S/c1-22(19,20)9-6-7-12(10(8-9)14(16,17)18)21-13-5-3-2-4-11(13)15/h2-8H,1H3
InChIKeyGOZOREOGWRSDFQ-UHFFFAOYSA-N
MW334.29 g/mol
LogP4.04
Rot. Bonds3

About 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene

1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene (PubChem CID 173140942) has the molecular formula C14H10F4O3S and a molecular weight of 334.29 g/mol. Its IUPAC name is 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
PubChem CID173140942
Molecular FormulaC14H10F4O3S
Molecular Weight334.29 g/mol
Exact Mass334.03
IUPAC Name1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene
SMILESCS(=O)(=O)c1ccc(Oc2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F4O3S/c1-22(19,20)9-6-7-12(10(8-9)14(16,17)18)21-13-5-3-2-4-11(13)15/h2-8H,1H3
InChIKeyGOZOREOGWRSDFQ-UHFFFAOYSA-N
XLogP4.04
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.29
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-4-methylsulfonyl-2-(trifluoromethyl)benzene
CID 121234937
4-(bromomethyl)-1-(2-fluorophenoxy)-2-(trifluoromethyl)benzene
CID 107086881
1-(2-bromo-4-methylsulfonylphenoxy)-2,4-difluorobenzene
CID 118022172
5-tert-butyl-2-(2-fluorophenoxy)-4-methylsulfonylpyridine
CID 165371953
3-chloro-4-(2-fluorophenoxy)benzenesulfonyl chloride
CID 61375597
[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-phenylmethanol
CID 142774744
[2-(trifluoromethyl)phenyl] 2-chloro-5-methylsulfonylbenzenesulfonate
CID 35320348
7-(2-fluorophenoxy)-2-(4-methylsulfonylphenyl)thieno[3,2-b]pyridine
CID 141137493
3-[4-(2-methylsulfonylphenoxy)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 164579563
2-methyl-4-methylsulfonyl-1-(trifluoromethyl)benzene
CID 162551925
3-(2-fluorophenoxy)-6-methylsulfonyl-1-benzothiophene-2-carbonitrile
CID 12043579
4-methylsulfonyl-2-(trifluoromethyl)benzaldehyde
CID 51342018

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene (CID 173140942) is 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene is CS(=O)(=O)c1ccc(Oc2ccccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene?
The InChIKey is GOZOREOGWRSDFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4O3S/c1-22(19,20)9-6-7-12(10(8-9)14(16,17)18)21-13-5-3-2-4-11(13)15/h2-8H,1H3.
What are the key properties of 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene?
1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene has a molecular weight of 334.29 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenoxy)-4-methylsulfonyl-2-(trifluoromethyl)benzene is sourced from PubChem (CID 173140942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).