4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde

C12H7F3O2S — CID 122475565

IUPAC4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde
SMILESO=Cc1cscc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)17-10-3-1-8(2-4-10)11-7-18-6-9(11)5-16/h1-7H
InChIKeyLZXYWQXSQZTNHI-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.13
Rot. Bonds3

About 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde

4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde (PubChem CID 122475565) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde
PubChem CID122475565
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Name4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde
SMILESO=Cc1cscc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)17-10-3-1-8(2-4-10)11-7-18-6-9(11)5-16/h1-7H
InChIKeyLZXYWQXSQZTNHI-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde?
The IUPAC name of 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde (CID 122475565) is 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde.
What is the SMILES notation for 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde?
The canonical SMILES for 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde is O=Cc1cscc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde?
The InChIKey is LZXYWQXSQZTNHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c13-12(14,15)17-10-3-1-8(2-4-10)11-7-18-6-9(11)5-16/h1-7H.
What are the key properties of 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde?
4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde has a molecular weight of 272.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)phenyl]thiophene-3-carbaldehyde is sourced from PubChem (CID 122475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).