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

C14H11F3O3S — CID 85063997

IUPAC3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O3S/c15-14(16,17)13-3-1-12(2-4-13)10-21(18,19)8-6-11-5-7-20-9-11/h1-9H,10H2
InChIKeyZFARKKRVOOBAQP-UHFFFAOYSA-N
MW316.30 g/mol
LogP3.88
Rot. Bonds4

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

3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan (PubChem CID 85063997) has the molecular formula C14H11F3O3S and a molecular weight of 316.30 g/mol. Its IUPAC name is 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan.

Molecular Properties

Compound Name3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan
PubChem CID85063997
Molecular FormulaC14H11F3O3S
Molecular Weight316.30 g/mol
Exact Mass316.04
IUPAC Name3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan
SMILESO=S(=O)(C=Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O3S/c15-14(16,17)13-3-1-12(2-4-13)10-21(18,19)8-6-11-5-7-20-9-11/h1-9H,10H2
InChIKeyZFARKKRVOOBAQP-UHFFFAOYSA-N
XLogP3.88
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan?
The IUPAC name of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan (CID 85063997) is 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan.
What is the SMILES notation for 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan?
The canonical SMILES for 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan is O=S(=O)(C=Cc1ccoc1)Cc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan?
The InChIKey is ZFARKKRVOOBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O3S/c15-14(16,17)13-3-1-12(2-4-13)10-21(18,19)8-6-11-5-7-20-9-11/h1-9H,10H2.
What are the key properties of 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan?
3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan has a molecular weight of 316.30 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[4-(trifluoromethyl)phenyl]methylsulfonyl]ethenyl]furan is sourced from PubChem (CID 85063997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).