2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene

C24H14F6OS — CID 15503022

IUPAC2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene
SMILESFc1ccc(-c2cc(C(F)(F)F)c(OC(c3ccc(F)cc3)c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C24H14F6OS/c25-17-7-1-14(2-8-17)21-13-20(24(28,29)30)23(32-21)31-22(15-3-9-18(26)10-4-15)16-5-11-19(27)12-6-16/h1-13,22H
InChIKeyIKODDSYPIBRTRZ-UHFFFAOYSA-N
MW464.43 g/mol
LogP8.02
Rot. Bonds5

About 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene

2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene (PubChem CID 15503022) has the molecular formula C24H14F6OS and a molecular weight of 464.43 g/mol. Its IUPAC name is 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene.

Molecular Properties

Compound Name2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene
PubChem CID15503022
Molecular FormulaC24H14F6OS
Molecular Weight464.43 g/mol
Exact Mass464.07
IUPAC Name2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene
SMILESFc1ccc(-c2cc(C(F)(F)F)c(OC(c3ccc(F)cc3)c3ccc(F)cc3)s2)cc1
InChIInChI=1S/C24H14F6OS/c25-17-7-1-14(2-8-17)21-13-20(24(28,29)30)23(32-21)31-22(15-3-9-18(26)10-4-15)16-5-11-19(27)12-6-16/h1-13,22H
InChIKeyIKODDSYPIBRTRZ-UHFFFAOYSA-N
XLogP8.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.43
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene?
The IUPAC name of 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene (CID 15503022) is 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene.
What is the SMILES notation for 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene?
The canonical SMILES for 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene is Fc1ccc(-c2cc(C(F)(F)F)c(OC(c3ccc(F)cc3)c3ccc(F)cc3)s2)cc1.
What is the InChIKey of 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene?
The InChIKey is IKODDSYPIBRTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F6OS/c25-17-7-1-14(2-8-17)21-13-20(24(28,29)30)23(32-21)31-22(15-3-9-18(26)10-4-15)16-5-11-19(27)12-6-16/h1-13,22H.
What are the key properties of 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene?
2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene has a molecular weight of 464.43 g/mol, XLogP of 8.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(4-fluorophenyl)methoxy]-5-(4-fluorophenyl)-3-(trifluoromethyl)thiophene is sourced from PubChem (CID 15503022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).