5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde

C12H9FOS — CID 23130549

IUPAC5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(Cc2ccccc2F)s1
InChIInChI=1S/C12H9FOS/c13-12-4-2-1-3-9(12)7-10-5-6-11(8-14)15-10/h1-6,8H,7H2
InChIKeyCGDRKQIYWFMMBC-UHFFFAOYSA-N
MW220.27 g/mol
LogP3.29
Rot. Bonds3

About 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde

5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde (PubChem CID 23130549) has the molecular formula C12H9FOS and a molecular weight of 220.27 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde
PubChem CID23130549
Molecular FormulaC12H9FOS
Molecular Weight220.27 g/mol
Exact Mass220.04
IUPAC Name5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(Cc2ccccc2F)s1
InChIInChI=1S/C12H9FOS/c13-12-4-2-1-3-9(12)7-10-5-6-11(8-14)15-10/h1-6,8H,7H2
InChIKeyCGDRKQIYWFMMBC-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.29
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

[5-[(2-fluorophenyl)methyl]thiophen-2-yl]methanol
CID 23130490
(Z)-4-[5-[(2-fluorophenyl)methyl]thiophen-2-yl]-2-hydroxy-4-oxobut-2-enoic acid
CID 69138519
5-(pyridin-3-ylmethyl)thiophene-2-carbaldehyde
CID 12904582
3-[5-[(2-fluorophenyl)methyl]thiophen-2-yl]benzonitrile
CID 150413154
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]acetamide
CID 2227870
5-[(2-fluorophenyl)methyl]-1,2-oxazole-3-carbaldehyde
CID 131430211
S-[(2-fluorophenyl)methyl] methanethioate
CID 173104567
azane;1-ethyl-2-fluorobenzene
CID 66657049
3-[(2-fluorophenyl)methyl]-1-methylpyrazole-5-carbaldehyde
CID 115093064
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-8-carbaldehyde
CID 117137327
5-(5-fluoropentyl)thiophene-2-carbaldehyde
CID 118228976
ethane;5-ethylthiophene-2-carbaldehyde;methanamine
CID 143347263

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde (CID 23130549) is 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde is O=Cc1ccc(Cc2ccccc2F)s1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde?
The InChIKey is CGDRKQIYWFMMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FOS/c13-12-4-2-1-3-9(12)7-10-5-6-11(8-14)15-10/h1-6,8H,7H2.
What are the key properties of 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde?
5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 23130549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).