3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan

C14H11F3O2S — CID 68561460

IUPAC3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan
SMILESO=S(C=Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2S/c15-14(16,17)13-3-1-12(2-4-13)10-20(18)8-6-11-5-7-19-9-11/h1-9H,10H2
InChIKeyPRQOOBVTNXIPNW-UHFFFAOYSA-N
MW300.30 g/mol
LogP4.22
Rot. Bonds4

About 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan

3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan (PubChem CID 68561460) has the molecular formula C14H11F3O2S and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan.

Molecular Properties

Compound Name3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan
PubChem CID68561460
Molecular FormulaC14H11F3O2S
Molecular Weight300.30 g/mol
Exact Mass300.04
IUPAC Name3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan
SMILESO=S(C=Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2S/c15-14(16,17)13-3-1-12(2-4-13)10-20(18)8-6-11-5-7-19-9-11/h1-9H,10H2
InChIKeyPRQOOBVTNXIPNW-UHFFFAOYSA-N
XLogP4.22
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
The IUPAC name of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan (CID 68561460) is 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan.
What is the SMILES notation for 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
The canonical SMILES for 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan is O=S(C=Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
The InChIKey is PRQOOBVTNXIPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2S/c15-14(16,17)13-3-1-12(2-4-13)10-20(18)8-6-11-5-7-19-9-11/h1-9H,10H2.
What are the key properties of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan?
3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan has a molecular weight of 300.30 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfinyl]ethenyl]furan is sourced from PubChem (CID 68561460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).