2-(fluoromethyl)-4-methoxybenzaldehyde

C9H9FO2 — CID 141044211

IUPAC2-(fluoromethyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CF)c1
InChIInChI=1S/C9H9FO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,5H2,1H3
InChIKeyGAJMKUSTFBRGNU-UHFFFAOYSA-N
MW168.17 g/mol
LogP1.98
Rot. Bonds3

About 2-(fluoromethyl)-4-methoxybenzaldehyde

2-(fluoromethyl)-4-methoxybenzaldehyde (PubChem CID 141044211) has the molecular formula C9H9FO2 and a molecular weight of 168.17 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(fluoromethyl)-4-methoxybenzaldehyde
PubChem CID141044211
Molecular FormulaC9H9FO2
Molecular Weight168.17 g/mol
Exact Mass168.06
IUPAC Name2-(fluoromethyl)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(CF)c1
InChIInChI=1S/C9H9FO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,5H2,1H3
InChIKeyGAJMKUSTFBRGNU-UHFFFAOYSA-N
XLogP1.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 51.98
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-(2-aminooxyethyl)-4-methoxybenzaldehyde
CID 117285082
2-[(1-aminocyclopropyl)methyl]-4-methoxybenzaldehyde
CID 117293526
2-(benzenesulfonylmethyl)-4-methoxybenzaldehyde
CID 10935159
2-[4-(2-formyl-4-methoxyphenoxy)butoxy]-5-methoxybenzaldehyde
CID 11850864
2-[(dimethylamino)methyl]-4-methoxybenzaldehyde;(3Z)-penta-1,3-diene
CID 143510544
acetic acid;(2-formyl-5-methoxyphenyl)methyl hydrogen sulfate
CID 88528450
4-(fluoromethyl)-2,5-dimethoxybenzaldehyde
CID 84668094
(2-formyl-5-methoxyphenyl)-trimethylazanium
CID 57461915
(2-formyl-5-methoxyphenyl)-methylborinic acid
CID 58916121
2-(2,2-difluoroethoxy)-5-methoxybenzaldehyde
CID 60922402
2-(aminooxymethyl)-5-methoxybenzaldehyde
CID 117278594
2-(2-formyl-4-methoxyphenyl)acetonitrile
CID 55265214

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-methoxybenzaldehyde?
The IUPAC name of 2-(fluoromethyl)-4-methoxybenzaldehyde (CID 141044211) is 2-(fluoromethyl)-4-methoxybenzaldehyde.
What is the SMILES notation for 2-(fluoromethyl)-4-methoxybenzaldehyde?
The canonical SMILES for 2-(fluoromethyl)-4-methoxybenzaldehyde is COc1ccc(C=O)c(CF)c1.
What is the InChIKey of 2-(fluoromethyl)-4-methoxybenzaldehyde?
The InChIKey is GAJMKUSTFBRGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2/c1-12-9-3-2-7(6-11)8(4-9)5-10/h2-4,6H,5H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-methoxybenzaldehyde?
2-(fluoromethyl)-4-methoxybenzaldehyde has a molecular weight of 168.17 g/mol, XLogP of 1.98, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-methoxybenzaldehyde is sourced from PubChem (CID 141044211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).