3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde

C12H7F3O2S — CID 23063720

IUPAC3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)17-9-3-1-8(2-4-9)10-5-6-18-11(10)7-16/h1-7H
InChIKeyZJJFZXQHPJODEX-UHFFFAOYSA-N
MW272.25 g/mol
LogP4.13
Rot. Bonds3

About 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde

3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde (PubChem CID 23063720) has the molecular formula C12H7F3O2S and a molecular weight of 272.25 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
PubChem CID23063720
Molecular FormulaC12H7F3O2S
Molecular Weight272.25 g/mol
Exact Mass272.01
IUPAC Name3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
SMILESO=Cc1sccc1-c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H7F3O2S/c13-12(14,15)17-9-3-1-8(2-4-9)10-5-6-18-11(10)7-16/h1-7H
InChIKeyZJJFZXQHPJODEX-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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Related Compounds

3-[2-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 168654704
2,5-bis[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 162538499
4-hydroxy-3-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 165416807
4-[4-(trifluoromethoxy)phenyl]naphthalene-1-carbaldehyde
CID 171127397
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
4-[4-(trifluoromethoxy)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
CID 2739834
2,6-difluoro-4-[4-(trifluoromethoxy)phenyl]benzaldehyde
CID 175684292
3-[4-(trifluoromethoxy)phenyl]-1,2-thiazole-4-carbaldehyde
CID 122477199
3-methoxy-5-[4-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134627172
1-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-4-[[4-[2,3-diiodo-4-[4-(trifluoromethoxy)phenyl]phenyl]-2,3-diiodophenyl]methyl]-2,3-diiodobenzene
CID 144502790
3-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzaldehyde
CID 118811729

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde (CID 23063720) is 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde is O=Cc1sccc1-c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde?
The InChIKey is ZJJFZXQHPJODEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3O2S/c13-12(14,15)17-9-3-1-8(2-4-9)10-5-6-18-11(10)7-16/h1-7H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde?
3-[4-(trifluoromethoxy)phenyl]thiophene-2-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 3-[4-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 23063720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).