2-(2-fluoroethoxy)-3-methoxybenzaldehyde

C10H11FO3 — CID 80693762

IUPAC2-(2-fluoroethoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCCF
InChIInChI=1S/C10H11FO3/c1-13-9-4-2-3-8(7-12)10(9)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKeyZHEYTFLVCMKCDO-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.86
Rot. Bonds5

About 2-(2-fluoroethoxy)-3-methoxybenzaldehyde

2-(2-fluoroethoxy)-3-methoxybenzaldehyde (PubChem CID 80693762) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-3-methoxybenzaldehyde
PubChem CID80693762
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Name2-(2-fluoroethoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCCF
InChIInChI=1S/C10H11FO3/c1-13-9-4-2-3-8(7-12)10(9)14-6-5-11/h2-4,7H,5-6H2,1H3
InChIKeyZHEYTFLVCMKCDO-UHFFFAOYSA-N
XLogP1.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.86
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

2,3-bis(2-fluoroethoxy)benzaldehyde
CID 15058684
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-[2-(2,3-dimethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 20985626
diethyl-[3-(2-formyl-6-methoxyphenoxy)propyl]azanium
CID 2200049
2-[2-(4-ethylphenoxy)ethoxy]-3-methoxybenzaldehyde
CID 22683414
3-methoxy-2-(2-naphthalen-2-yloxyethoxy)benzaldehyde
CID 22685612
3-methoxy-2-(2-pyridin-4-ylethoxy)benzaldehyde
CID 60893026
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
3-methoxy-2-(3-piperidin-1-ium-1-ylpropoxy)benzaldehyde
CID 2200637

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-3-methoxybenzaldehyde?
The IUPAC name of 2-(2-fluoroethoxy)-3-methoxybenzaldehyde (CID 80693762) is 2-(2-fluoroethoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(2-fluoroethoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(2-fluoroethoxy)-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-3-methoxybenzaldehyde?
The InChIKey is ZHEYTFLVCMKCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-13-9-4-2-3-8(7-12)10(9)14-6-5-11/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(2-fluoroethoxy)-3-methoxybenzaldehyde?
2-(2-fluoroethoxy)-3-methoxybenzaldehyde has a molecular weight of 198.19 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 80693762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).