7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde

C10H4ClF3OS — CID 88879321

IUPAC7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2c(C(F)(F)F)ccc(Cl)c2s1
InChIInChI=1S/C10H4ClF3OS/c11-8-2-1-7(10(12,13)14)6-3-5(4-15)16-9(6)8/h1-4H
InChIKeyRANVQUMYZVTUAD-UHFFFAOYSA-N
MW264.66 g/mol
LogP4.39
Rot. Bonds1

About 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde

7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde (PubChem CID 88879321) has the molecular formula C10H4ClF3OS and a molecular weight of 264.66 g/mol. Its IUPAC name is 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde.

Molecular Properties

Compound Name7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde
PubChem CID88879321
Molecular FormulaC10H4ClF3OS
Molecular Weight264.66 g/mol
Exact Mass263.96
IUPAC Name7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde
SMILESO=Cc1cc2c(C(F)(F)F)ccc(Cl)c2s1
InChIInChI=1S/C10H4ClF3OS/c11-8-2-1-7(10(12,13)14)6-3-5(4-15)16-9(6)8/h1-4H
InChIKeyRANVQUMYZVTUAD-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde?
The IUPAC name of 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde (CID 88879321) is 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde.
What is the SMILES notation for 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde?
The canonical SMILES for 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde is O=Cc1cc2c(C(F)(F)F)ccc(Cl)c2s1.
What is the InChIKey of 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde?
The InChIKey is RANVQUMYZVTUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3OS/c11-8-2-1-7(10(12,13)14)6-3-5(4-15)16-9(6)8/h1-4H.
What are the key properties of 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde?
7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde has a molecular weight of 264.66 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-(trifluoromethyl)-1-benzothiophene-2-carbaldehyde is sourced from PubChem (CID 88879321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).