1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene

C11H11F3O2S — CID 139248361

IUPAC1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene
SMILESC=CC(OSC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C11H11F3O2S/c1-3-10(16-17-11(12,13)14)8-4-6-9(15-2)7-5-8/h3-7,10H,1H2,2H3
InChIKeyRXRPFAZWZIDOQU-UHFFFAOYSA-N
MW264.27 g/mol
LogP4.11
Rot. Bonds5

About 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene

1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene (PubChem CID 139248361) has the molecular formula C11H11F3O2S and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene
PubChem CID139248361
Molecular FormulaC11H11F3O2S
Molecular Weight264.27 g/mol
Exact Mass264.04
IUPAC Name1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene
SMILESC=CC(OSC(F)(F)F)c1ccc(OC)cc1
InChIInChI=1S/C11H11F3O2S/c1-3-10(16-17-11(12,13)14)8-4-6-9(15-2)7-5-8/h3-7,10H,1H2,2H3
InChIKeyRXRPFAZWZIDOQU-UHFFFAOYSA-N
XLogP4.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-(1-methoxyprop-2-enyl)benzene
CID 14594939
triethyl-[(1S)-1-(4-methoxyphenyl)prop-2-enoxy]silane
CID 134880448
1-(1-methoxyprop-2-enyl)-4-(trifluoromethyl)benzene
CID 71422189
1-[1-(4-methoxyphenoxy)prop-2-enyl]-4-nitrobenzene
CID 132506412
1-methoxy-4-[(1R)-1-phenylprop-2-enyl]benzene
CID 102287060
1-methoxy-4-[(2R)-2-[4-(trifluoromethyl)phenyl]but-3-enyl]benzene
CID 154713677
1-methoxy-4-[(E)-4,4,4-trifluoro-1-phenylbut-2-enoxy]benzene
CID 177454305
(4-methoxyphenyl)methanedithiol
CID 19893185
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
1-[1-(4-methoxyphenyl)prop-2-enoxy]hex-5-en-2-one
CID 23242882
1-methoxy-4-[1-(4-methoxyphenyl)but-3-enyl]benzene
CID 10912530
prop-2-enyl 3,3,3-trifluoro-2-(4-methoxyphenyl)propanoate
CID 71473221

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene?
The IUPAC name of 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene (CID 139248361) is 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene is C=CC(OSC(F)(F)F)c1ccc(OC)cc1.
What is the InChIKey of 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene?
The InChIKey is RXRPFAZWZIDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O2S/c1-3-10(16-17-11(12,13)14)8-4-6-9(15-2)7-5-8/h3-7,10H,1H2,2H3.
What are the key properties of 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene?
1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene has a molecular weight of 264.27 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[1-(trifluoromethylsulfanyloxy)prop-2-enyl]benzene is sourced from PubChem (CID 139248361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).