2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene

C20H12F8S — CID 156907937

IUPAC2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
SMILESFc1ccc(Cc2ccc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H12F8S/c21-17-5-1-11(9-15(17)19(23,24)25)7-13-3-4-14(29-13)8-12-2-6-18(22)16(10-12)20(26,27)28/h1-6,9-10H,7-8H2
InChIKeyHILUFWKKODVNFL-UHFFFAOYSA-N
MW436.37 g/mol
LogP7.25
Rot. Bonds4

About 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene

2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene (PubChem CID 156907937) has the molecular formula C20H12F8S and a molecular weight of 436.37 g/mol. Its IUPAC name is 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene.

Molecular Properties

Compound Name2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
PubChem CID156907937
Molecular FormulaC20H12F8S
Molecular Weight436.37 g/mol
Exact Mass436.05
IUPAC Name2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene
SMILESFc1ccc(Cc2ccc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1C(F)(F)F
InChIInChI=1S/C20H12F8S/c21-17-5-1-11(9-15(17)19(23,24)25)7-13-3-4-14(29-13)8-12-2-6-18(22)16(10-12)20(26,27)28/h1-6,9-10H,7-8H2
InChIKeyHILUFWKKODVNFL-UHFFFAOYSA-N
XLogP7.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.37
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene?
The IUPAC name of 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene (CID 156907937) is 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene.
What is the SMILES notation for 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene?
The canonical SMILES for 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene is Fc1ccc(Cc2ccc(Cc3ccc(F)c(C(F)(F)F)c3)s2)cc1C(F)(F)F.
What is the InChIKey of 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene?
The InChIKey is HILUFWKKODVNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F8S/c21-17-5-1-11(9-15(17)19(23,24)25)7-13-3-4-14(29-13)8-12-2-6-18(22)16(10-12)20(26,27)28/h1-6,9-10H,7-8H2.
What are the key properties of 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene?
2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene has a molecular weight of 436.37 g/mol, XLogP of 7.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]thiophene is sourced from PubChem (CID 156907937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).