5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde

C20H16F2O2S — CID 143775739

IUPAC5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C=O)s3)cc2)c(F)c1F
InChIInChI=1S/C20H16F2O2S/c1-2-11-24-17-9-8-16(19(21)20(17)22)13-3-5-14(6-4-13)18-10-7-15(12-23)25-18/h3-10,12H,2,11H2,1H3
InChIKeyURKQYUWADJLCEF-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.96
Rot. Bonds6

About 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde

5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde (PubChem CID 143775739) has the molecular formula C20H16F2O2S and a molecular weight of 358.41 g/mol. Its IUPAC name is 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
PubChem CID143775739
Molecular FormulaC20H16F2O2S
Molecular Weight358.41 g/mol
Exact Mass358.08
IUPAC Name5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde
SMILESCCCOc1ccc(-c2ccc(-c3ccc(C=O)s3)cc2)c(F)c1F
InChIInChI=1S/C20H16F2O2S/c1-2-11-24-17-9-8-16(19(21)20(17)22)13-3-5-14(6-4-13)18-10-7-15(12-23)25-18/h3-10,12H,2,11H2,1H3
InChIKeyURKQYUWADJLCEF-UHFFFAOYSA-N
XLogP5.96
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.96
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

2-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-5-propylthiophene
CID 143775720
2,3-difluoro-1-[4-(4-methylphenyl)phenyl]-4-propoxybenzene
CID 145339830
5-(4-ethoxy-3-fluorophenyl)thiophene-2-carbaldehyde
CID 82480842
2-[4-(4-ethoxy-2,3-difluorophenyl)phenyl]-5-methylthiophene
CID 172603717
1-(3,4-difluorophenyl)-2,3-difluoro-4-propoxybenzene
CID 134386235
1-[4-(difluoromethoxy)phenyl]-2,3-difluoro-4-propoxybenzene
CID 19436305
1-ethoxy-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 118191581
1-butoxy-4-[4-[[2,3-difluoro-4-(4-propoxyphenyl)phenyl]methoxy]phenyl]-2,3-difluorobenzene
CID 89430006
5-(2,4-dibutoxyphenyl)thiophene-2-carbaldehyde
CID 86726979
1-(2,3-difluoro-4-hexoxyphenyl)-2,3-difluoro-4-propoxybenzene
CID 125478760
1-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluoro-4-propoxybenzene
CID 134358545
2-[4-[4-(cyclopropylmethoxy)-2,3-difluorophenyl]phenyl]-5-methylthiophene
CID 174244261

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde (CID 143775739) is 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde is CCCOc1ccc(-c2ccc(-c3ccc(C=O)s3)cc2)c(F)c1F.
What is the InChIKey of 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde?
The InChIKey is URKQYUWADJLCEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2O2S/c1-2-11-24-17-9-8-16(19(21)20(17)22)13-3-5-14(6-4-13)18-10-7-15(12-23)25-18/h3-10,12H,2,11H2,1H3.
What are the key properties of 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde?
5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde has a molecular weight of 358.41 g/mol, XLogP of 5.96, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 143775739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).