3-(1-fluoroethenyl)thiophene-2-carbaldehyde

C7H5FOS — CID 87622588

IUPAC3-(1-fluoroethenyl)thiophene-2-carbaldehyde
SMILESC=C(F)c1ccsc1C=O
InChIInChI=1S/C7H5FOS/c1-5(8)6-2-3-10-7(6)4-9/h2-4H,1H2
InChIKeyBLMJXHMUXBMYEB-UHFFFAOYSA-N
MW156.18 g/mol
LogP2.50
Rot. Bonds2

About 3-(1-fluoroethenyl)thiophene-2-carbaldehyde

3-(1-fluoroethenyl)thiophene-2-carbaldehyde (PubChem CID 87622588) has the molecular formula C7H5FOS and a molecular weight of 156.18 g/mol. Its IUPAC name is 3-(1-fluoroethenyl)thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-(1-fluoroethenyl)thiophene-2-carbaldehyde
PubChem CID87622588
Molecular FormulaC7H5FOS
Molecular Weight156.18 g/mol
Exact Mass156.00
IUPAC Name3-(1-fluoroethenyl)thiophene-2-carbaldehyde
SMILESC=C(F)c1ccsc1C=O
InChIInChI=1S/C7H5FOS/c1-5(8)6-2-3-10-7(6)4-9/h2-4H,1H2
InChIKeyBLMJXHMUXBMYEB-UHFFFAOYSA-N
XLogP2.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 52.50
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

2-formylthiophene-3-carboxylate
CID 40659665
3-[(E)-2-methylbut-2-enoyl]thiophene-2-carbaldehyde
CID 173077000
3-(2-formylthiophen-3-yl)thiophene-2-carbaldehyde
CID 818840
3-[(Z)-2-methyl-3-oxo-1,3-diphenylprop-1-enyl]thiophene-2-carbaldehyde
CID 141321570
3-(2-hydroxyphenyl)thiophene-2-carbaldehyde
CID 121218693
3-[(1S)-1-hydroxyethyl]thiophene-2-carbaldehyde
CID 45083877
3-(2-formylthiophen-3-yl)propanoic acid
CID 20613593
3-(4-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)thiophene-2-carbaldehyde
CID 13438347
(2-formylthiophen-3-yl)methyl carbamate
CID 20613575
4-(2-formylthiophen-3-yl)benzoic acid
CID 165475913
(E)-3-(3-formylthiophen-2-yl)prop-2-enoic acid
CID 90072955
3-[(2,4-difluorophenyl)methyl]thiophene-2-carbaldehyde
CID 131497573

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethenyl)thiophene-2-carbaldehyde?
The IUPAC name of 3-(1-fluoroethenyl)thiophene-2-carbaldehyde (CID 87622588) is 3-(1-fluoroethenyl)thiophene-2-carbaldehyde.
What is the SMILES notation for 3-(1-fluoroethenyl)thiophene-2-carbaldehyde?
The canonical SMILES for 3-(1-fluoroethenyl)thiophene-2-carbaldehyde is C=C(F)c1ccsc1C=O.
What is the InChIKey of 3-(1-fluoroethenyl)thiophene-2-carbaldehyde?
The InChIKey is BLMJXHMUXBMYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FOS/c1-5(8)6-2-3-10-7(6)4-9/h2-4H,1H2.
What are the key properties of 3-(1-fluoroethenyl)thiophene-2-carbaldehyde?
3-(1-fluoroethenyl)thiophene-2-carbaldehyde has a molecular weight of 156.18 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethenyl)thiophene-2-carbaldehyde is sourced from PubChem (CID 87622588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).