1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene

C9H8F4O2S — CID 118807849

IUPAC1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene
SMILESCOc1cc(OC)c(SC(F)(F)F)cc1F
InChIInChI=1S/C9H8F4O2S/c1-14-6-4-7(15-2)8(3-5(6)10)16-9(11,12)13/h3-4H,1-2H3
InChIKeyDWXRQFOKXXHEFW-UHFFFAOYSA-N
MW256.22 g/mol
LogP3.45
Rot. Bonds3

About 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene

1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene (PubChem CID 118807849) has the molecular formula C9H8F4O2S and a molecular weight of 256.22 g/mol. Its IUPAC name is 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene.

Molecular Properties

Compound Name1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene
PubChem CID118807849
Molecular FormulaC9H8F4O2S
Molecular Weight256.22 g/mol
Exact Mass256.02
IUPAC Name1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene
SMILESCOc1cc(OC)c(SC(F)(F)F)cc1F
InChIInChI=1S/C9H8F4O2S/c1-14-6-4-7(15-2)8(3-5(6)10)16-9(11,12)13/h3-4H,1-2H3
InChIKeyDWXRQFOKXXHEFW-UHFFFAOYSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-iodo-4,5-dimethoxy-2-(trifluoromethylsulfanyl)benzene
CID 118852910
(5-fluoro-2,4-dimethoxyphenyl)boronic acid
CID 164893901
1-tert-butyl-5-fluoro-2,4-dimethoxybenzene
CID 148903890
1,5-difluoro-2-methoxy-4-propan-2-yloxybenzene
CID 164894496
1-bromo-2,4-difluoro-5-methoxybenzene
CID 68809379
1-bromo-2,4-difluoro-5-methoxybenzene;1,5-dibromo-2,4-difluorobenzene
CID 160948339
[3,4-dimethoxy-5-(trifluoromethylsulfanyl)phenyl]methanol
CID 68686622
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
6-fluoro-2,3-dimethyl-4-(trifluoromethylsulfanyl)aniline
CID 59638647
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
5-fluoro-4-methoxy-2-(2,2,2-trifluoroethoxy)aniline
CID 63599497
1,2-difluoro-4,5-dimethoxybenzene
CID 853175

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene?
The IUPAC name of 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene (CID 118807849) is 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene.
What is the SMILES notation for 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene?
The canonical SMILES for 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene is COc1cc(OC)c(SC(F)(F)F)cc1F.
What is the InChIKey of 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene?
The InChIKey is DWXRQFOKXXHEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4O2S/c1-14-6-4-7(15-2)8(3-5(6)10)16-9(11,12)13/h3-4H,1-2H3.
What are the key properties of 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene?
1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene has a molecular weight of 256.22 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,4-dimethoxy-5-(trifluoromethylsulfanyl)benzene is sourced from PubChem (CID 118807849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).