5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde

C14H13FO2S — CID 19621736

IUPAC5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1COc1cccc(F)c1
InChIInChI=1S/C14H13FO2S/c1-2-14-10(6-13(8-16)18-14)9-17-12-5-3-4-11(15)7-12/h3-8H,2,9H2,1H3
InChIKeyRYEDSFBKWJRDIS-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.84
Rot. Bonds5

About 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde

5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde (PubChem CID 19621736) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde
PubChem CID19621736
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde
SMILESCCc1sc(C=O)cc1COc1cccc(F)c1
InChIInChI=1S/C14H13FO2S/c1-2-14-10(6-13(8-16)18-14)9-17-12-5-3-4-11(15)7-12/h3-8H,2,9H2,1H3
InChIKeyRYEDSFBKWJRDIS-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.84
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

5-ethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]thiophene-2-carbaldehyde
CID 19621706
4-[(3,5-dimethylphenoxy)methyl]-5-ethylthiophene-2-carbaldehyde
CID 19621684
3-[(3-fluorophenoxy)methyl]-4-methoxybenzaldehyde
CID 3503454
2-[(3-fluorophenoxy)methyl]-5-methoxyphenol
CID 117221189
4-[(3-fluorophenoxy)methyl]-3-methylbenzamide
CID 114486229
ethane;1-ethyl-3-[(3-fluorophenyl)methoxy]benzene
CID 176690950
2-[(3-fluorophenoxy)methyl]-5-methylbenzoic acid
CID 117221147
3-amino-4-[(3-fluorophenoxy)methyl]benzamide
CID 43376530
3-ethyl-2-[(3-fluorophenoxy)methyl]imidazol-4-amine
CID 117188645
4-(3-fluorophenoxy)thiophene-2-carbaldehyde
CID 23130605
5-amino-2-[(3-fluorophenoxy)methyl]phenol
CID 117219630
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde?
The IUPAC name of 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde (CID 19621736) is 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde is CCc1sc(C=O)cc1COc1cccc(F)c1.
What is the InChIKey of 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde?
The InChIKey is RYEDSFBKWJRDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-2-14-10(6-13(8-16)18-14)9-17-12-5-3-4-11(15)7-12/h3-8H,2,9H2,1H3.
What are the key properties of 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde?
5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde has a molecular weight of 264.32 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(3-fluorophenoxy)methyl]thiophene-2-carbaldehyde is sourced from PubChem (CID 19621736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).