4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde

C20H19FOS — CID 86743024

IUPAC4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde
SMILESCC(C)C1(C=O)CC(c2ccc(F)cc2)=C(c2ccccc2)S1
InChIInChI=1S/C20H19FOS/c1-14(2)20(13-22)12-18(15-8-10-17(21)11-9-15)19(23-20)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3
InChIKeyPAERTLADUNLSLD-UHFFFAOYSA-N
MW326.44 g/mol
LogP5.42
Rot. Bonds4

About 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde

4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde (PubChem CID 86743024) has the molecular formula C20H19FOS and a molecular weight of 326.44 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde
PubChem CID86743024
Molecular FormulaC20H19FOS
Molecular Weight326.44 g/mol
Exact Mass326.11
IUPAC Name4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde
SMILESCC(C)C1(C=O)CC(c2ccc(F)cc2)=C(c2ccccc2)S1
InChIInChI=1S/C20H19FOS/c1-14(2)20(13-22)12-18(15-8-10-17(21)11-9-15)19(23-20)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3
InChIKeyPAERTLADUNLSLD-UHFFFAOYSA-N
XLogP5.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.44
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde?
The IUPAC name of 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde (CID 86743024) is 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde.
What is the SMILES notation for 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde?
The canonical SMILES for 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde is CC(C)C1(C=O)CC(c2ccc(F)cc2)=C(c2ccccc2)S1.
What is the InChIKey of 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde?
The InChIKey is PAERTLADUNLSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FOS/c1-14(2)20(13-22)12-18(15-8-10-17(21)11-9-15)19(23-20)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde?
4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde has a molecular weight of 326.44 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-phenyl-2-propan-2-yl-3H-thiophene-2-carbaldehyde is sourced from PubChem (CID 86743024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).