2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene

C26H14F6S3 — CID 101437034

IUPAC2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)s3)s2)cc1
InChIInChI=1S/C26H14F6S3/c27-25(28,29)17-5-1-15(2-6-17)19-9-11-21(33-19)23-13-14-24(35-23)22-12-10-20(34-22)16-3-7-18(8-4-16)26(30,31)32/h1-14H
InChIKeyTYQBEMPDHRDWAG-UHFFFAOYSA-N
MW536.59 g/mol
LogP10.58
Rot. Bonds4

About 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene

2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene (PubChem CID 101437034) has the molecular formula C26H14F6S3 and a molecular weight of 536.59 g/mol. Its IUPAC name is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene.

Molecular Properties

Compound Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
PubChem CID101437034
Molecular FormulaC26H14F6S3
Molecular Weight536.59 g/mol
Exact Mass536.02
IUPAC Name2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene
SMILESFC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)s3)s2)cc1
InChIInChI=1S/C26H14F6S3/c27-25(28,29)17-5-1-15(2-6-17)19-9-11-21(33-19)23-13-14-24(35-23)22-12-10-20(34-22)16-3-7-18(8-4-16)26(30,31)32/h1-14H
InChIKeyTYQBEMPDHRDWAG-UHFFFAOYSA-N
XLogP10.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.59
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene?
The IUPAC name of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene (CID 101437034) is 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene.
What is the SMILES notation for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene?
The canonical SMILES for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene is FC(F)(F)c1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C(F)(F)F)cc5)s4)s3)s2)cc1.
What is the InChIKey of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene?
The InChIKey is TYQBEMPDHRDWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14F6S3/c27-25(28,29)17-5-1-15(2-6-17)19-9-11-21(33-19)23-13-14-24(35-23)22-12-10-20(34-22)16-3-7-18(8-4-16)26(30,31)32/h1-14H.
What are the key properties of 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene?
2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene has a molecular weight of 536.59 g/mol, XLogP of 10.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]thiophene is sourced from PubChem (CID 101437034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).