4-(fluoromethyl)-2,5-dimethoxybenzaldehyde

C10H11FO3 — CID 84668094

IUPAC4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(CF)c(OC)cc1C=O
InChIInChI=1S/C10H11FO3/c1-13-9-4-8(6-12)10(14-2)3-7(9)5-11/h3-4,6H,5H2,1-2H3
InChIKeyYHNQBEJRIKKUKZ-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.99
Rot. Bonds4

About 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde

4-(fluoromethyl)-2,5-dimethoxybenzaldehyde (PubChem CID 84668094) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
PubChem CID84668094
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
SMILESCOc1cc(CF)c(OC)cc1C=O
InChIInChI=1S/C10H11FO3/c1-13-9-4-8(6-12)10(14-2)3-7(9)5-11/h3-4,6H,5H2,1-2H3
InChIKeyYHNQBEJRIKKUKZ-UHFFFAOYSA-N
XLogP1.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.99
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

4-(hydroxymethyl)-2,5-dimethoxybenzaldehyde
CID 14545007
4-[2-(dimethylamino)ethyl]-2,5-dimethoxybenzaldehyde
CID 141409566
ethane;2,4,5-trimethoxybenzaldehyde
CID 144606441
5-fluoro-2,4-dimethoxybenzaldehyde
CID 10035290
4,5-dimethoxy-2-(2-oxoethyl)benzaldehyde
CID 134869051
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
4-(3-fluoropropylsulfanyl)-2,5-dimethoxybenzaldehyde
CID 12063238
2,5-dimethoxy-4-(2-methoxyethylsulfanyl)benzaldehyde
CID 44719533
2,2,2-trifluoro-N-[(2R)-1-(4-formyl-2,5-dimethoxyphenyl)propan-2-yl]acetamide
CID 58838534
2-(fluoromethyl)-4-methoxybenzaldehyde
CID 141044211
2-amino-4,5-dimethoxybenzaldehyde
CID 10888543
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-N-methoxymethanamine
CID 117330350

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde?
The IUPAC name of 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde (CID 84668094) is 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde.
What is the SMILES notation for 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde?
The canonical SMILES for 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde is COc1cc(CF)c(OC)cc1C=O.
What is the InChIKey of 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde?
The InChIKey is YHNQBEJRIKKUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-13-9-4-8(6-12)10(14-2)3-7(9)5-11/h3-4,6H,5H2,1-2H3.
What are the key properties of 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde?
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde has a molecular weight of 198.19 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-2,5-dimethoxybenzaldehyde is sourced from PubChem (CID 84668094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).