1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene

C14H9F5O2S — CID 15536075

IUPAC1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene
SMILESCOc1ccc(OC)c(Sc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H9F5O2S/c1-20-6-3-4-7(21-2)8(5-6)22-14-12(18)10(16)9(15)11(17)13(14)19/h3-5H,1-2H3
InChIKeyOBICSEVYWAHPHS-UHFFFAOYSA-N
MW336.28 g/mol
LogP4.55
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene

1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene (PubChem CID 15536075) has the molecular formula C14H9F5O2S and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene
PubChem CID15536075
Molecular FormulaC14H9F5O2S
Molecular Weight336.28 g/mol
Exact Mass336.02
IUPAC Name1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene
SMILESCOc1ccc(OC)c(Sc2c(F)c(F)c(F)c(F)c2F)c1
InChIInChI=1S/C14H9F5O2S/c1-20-6-3-4-7(21-2)8(5-6)22-14-12(18)10(16)9(15)11(17)13(14)19/h3-5H,1-2H3
InChIKeyOBICSEVYWAHPHS-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[5-methoxy-2-(trifluoromethoxy)phenyl]benzene
CID 134630267
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
5-[bromo-(2,5-dimethoxyphenyl)methyl]-2-fluoro-1,3-dimethylbenzene
CID 65296664
2-[(2,4-dimethoxyphenyl)-(2-hydroxyethylsulfanyl)methyl]sulfanylethanol
CID 102497342
2-(2,5-dimethoxyphenyl)sulfanylacetate
CID 6928078
1-(difluoromethylsulfanyl)-2,4-dimethoxybenzene
CID 82079729
2-amino-5-(2,5-dimethoxyphenyl)sulfanyl-6-methyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 25107641
2-(2,5-dimethoxyphenyl)sulfanylbutanenitrile
CID 117035600
(2-methoxy-5-methylphenyl) thiohypochlorite
CID 117036074
2-(dichloromethyl)-1,4-dimethoxybenzene
CID 23431965
4-methoxy-2-(2-methoxyphenyl)sulfanylbenzonitrile
CID 81302751
4-(2,5-dimethoxyphenyl)sulfanylcyclohexan-1-one
CID 117034504

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene (CID 15536075) is 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene is COc1ccc(OC)c(Sc2c(F)c(F)c(F)c(F)c2F)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene?
The InChIKey is OBICSEVYWAHPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F5O2S/c1-20-6-3-4-7(21-2)8(5-6)22-14-12(18)10(16)9(15)11(17)13(14)19/h3-5H,1-2H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene?
1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene has a molecular weight of 336.28 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfanyl-2,3,4,5,6-pentafluorobenzene is sourced from PubChem (CID 15536075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).