2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde

C12H5F5OS — CID 146422717

IUPAC2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde
SMILESO=Cc1ccc(-c2csc(C(F)(F)F)c2)c(F)c1F
InChIInChI=1S/C12H5F5OS/c13-10-6(4-18)1-2-8(11(10)14)7-3-9(19-5-7)12(15,16)17/h1-5H
InChIKeyGVUFLQQWJBFKSR-UHFFFAOYSA-N
MW292.23 g/mol
LogP4.52
Rot. Bonds2

About 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde

2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde (PubChem CID 146422717) has the molecular formula C12H5F5OS and a molecular weight of 292.23 g/mol. Its IUPAC name is 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde.

Molecular Properties

Compound Name2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde
PubChem CID146422717
Molecular FormulaC12H5F5OS
Molecular Weight292.23 g/mol
Exact Mass292.00
IUPAC Name2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde
SMILESO=Cc1ccc(-c2csc(C(F)(F)F)c2)c(F)c1F
InChIInChI=1S/C12H5F5OS/c13-10-6(4-18)1-2-8(11(10)14)7-3-9(19-5-7)12(15,16)17/h1-5H
InChIKeyGVUFLQQWJBFKSR-UHFFFAOYSA-N
XLogP4.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.23
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(2,3-difluoro-4-formylphenyl)benzimidazol-1-yl]thallium
CID 143629701
4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 166657109
4-ethoxy-2,3-difluorobenzaldehyde
CID 14495625
2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 146035323
3-ethyl-7-fluoro-1-benzothiophene-6-carbaldehyde
CID 131218775
CID 163739827
CID 163739827
4-(2-formylphenyl)thiophene-2-carbaldehyde
CID 172677675
2-fluoro-3-(trifluoromethoxy)terephthalaldehyde
CID 171010447
4-(trifluoromethyl)phthalaldehyde
CID 23496648
4-fluoro-3-(5-methylthiophen-3-yl)benzaldehyde
CID 65100507
4-[2-fluoro-3-(trifluoromethyl)phenyl]-2-nitrobenzaldehyde
CID 176730070
2-fluoro-3-(4-methylphenyl)benzaldehyde
CID 171367900

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde?
The IUPAC name of 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde (CID 146422717) is 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde.
What is the SMILES notation for 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde?
The canonical SMILES for 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde is O=Cc1ccc(-c2csc(C(F)(F)F)c2)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde?
The InChIKey is GVUFLQQWJBFKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F5OS/c13-10-6(4-18)1-2-8(11(10)14)7-3-9(19-5-7)12(15,16)17/h1-5H.
What are the key properties of 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde?
2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde has a molecular weight of 292.23 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[5-(trifluoromethyl)thiophen-3-yl]benzaldehyde is sourced from PubChem (CID 146422717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).