2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene

C23H18F4S4 — CID 134505074

IUPAC2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene
SMILESC=C(c1cc(-c2ccc(-c3ccc(C)s3)s2)sc1-c1ccc(C)s1)C(F)(F)C(C)(F)F
InChIInChI=1S/C23H18F4S4/c1-12-5-7-16(28-12)17-9-10-18(30-17)20-11-15(14(3)23(26,27)22(4,24)25)21(31-20)19-8-6-13(2)29-19/h5-11H,3H2,1-2,4H3
InChIKeyFIVPVOFBGHYGKS-UHFFFAOYSA-N
MW498.66 g/mol
LogP9.85
Rot. Bonds6

About 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene

2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene (PubChem CID 134505074) has the molecular formula C23H18F4S4 and a molecular weight of 498.66 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene
PubChem CID134505074
Molecular FormulaC23H18F4S4
Molecular Weight498.66 g/mol
Exact Mass498.02
IUPAC Name2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene
SMILESC=C(c1cc(-c2ccc(-c3ccc(C)s3)s2)sc1-c1ccc(C)s1)C(F)(F)C(C)(F)F
InChIInChI=1S/C23H18F4S4/c1-12-5-7-16(28-12)17-9-10-18(30-17)20-11-15(14(3)23(26,27)22(4,24)25)21(31-20)19-8-6-13(2)29-19/h5-11H,3H2,1-2,4H3
InChIKeyFIVPVOFBGHYGKS-UHFFFAOYSA-N
XLogP9.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.66
LogP ≤ 59.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene?
The IUPAC name of 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene (CID 134505074) is 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene is C=C(c1cc(-c2ccc(-c3ccc(C)s3)s2)sc1-c1ccc(C)s1)C(F)(F)C(C)(F)F.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene?
The InChIKey is FIVPVOFBGHYGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F4S4/c1-12-5-7-16(28-12)17-9-10-18(30-17)20-11-15(14(3)23(26,27)22(4,24)25)21(31-20)19-8-6-13(2)29-19/h5-11H,3H2,1-2,4H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene?
2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene has a molecular weight of 498.66 g/mol, XLogP of 9.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-5-[5-(5-methylthiophen-2-yl)thiophen-2-yl]-3-(3,3,4,4-tetrafluoropent-1-en-2-yl)thiophene is sourced from PubChem (CID 134505074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).