3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde

C10H11FO2S — CID 63803553

IUPAC3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde
SMILESCOCCSc1ccc(C=O)cc1F
InChIInChI=1S/C10H11FO2S/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyDJMQQBSZIJQFKH-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.38
Rot. Bonds5

About 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde

3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde (PubChem CID 63803553) has the molecular formula C10H11FO2S and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde
PubChem CID63803553
Molecular FormulaC10H11FO2S
Molecular Weight214.26 g/mol
Exact Mass214.05
IUPAC Name3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde
SMILESCOCCSc1ccc(C=O)cc1F
InChIInChI=1S/C10H11FO2S/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3
InChIKeyDJMQQBSZIJQFKH-UHFFFAOYSA-N
XLogP2.38
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(2-methylsulfonylethylsulfanyl)benzaldehyde
CID 63802172
4-(2-methoxyethylsulfanyl)-3-nitrobenzaldehyde
CID 63803385
3-fluoro-4-[2-methoxyethyl(methyl)amino]benzaldehyde
CID 61427708
3-fluoro-4-[2-methoxyethyl(prop-2-enyl)amino]benzaldehyde
CID 103339505
4-fluoro-3-(methoxymethoxy)benzaldehyde
CID 23143885
4-(3-methoxypropylsulfanyl)benzaldehyde
CID 63857081
5-chloro-2-(3-methoxypropylsulfanyl)benzaldehyde
CID 114863739
3-fluoro-4-phenylsulfanylbenzaldehyde
CID 63803868
3-hydroxy-4-(3-methoxypropoxy)benzaldehyde
CID 86730352
4-[2-(2,5-dihydroxypyrrol-1-yl)ethylsulfanyl]-3-methoxybenzaldehyde
CID 123539876
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde?
The IUPAC name of 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde (CID 63803553) is 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde.
What is the SMILES notation for 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde?
The canonical SMILES for 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde is COCCSc1ccc(C=O)cc1F.
What is the InChIKey of 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde?
The InChIKey is DJMQQBSZIJQFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2S/c1-13-4-5-14-10-3-2-8(7-12)6-9(10)11/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde?
3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde has a molecular weight of 214.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-methoxyethylsulfanyl)benzaldehyde is sourced from PubChem (CID 63803553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).