4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde

C10H12FNO2 — CID 117286732

IUPAC4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde
SMILESCONCc1cc(F)c(C)cc1C=O
InChIInChI=1S/C10H12FNO2/c1-7-3-9(6-13)8(4-10(7)11)5-12-14-2/h3-4,6,12H,5H2,1-2H3
InChIKeySIOAGXSKRJCOPH-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.60
Rot. Bonds4

About 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde

4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde (PubChem CID 117286732) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde
PubChem CID117286732
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde
SMILESCONCc1cc(F)c(C)cc1C=O
InChIInChI=1S/C10H12FNO2/c1-7-3-9(6-13)8(4-10(7)11)5-12-14-2/h3-4,6,12H,5H2,1-2H3
InChIKeySIOAGXSKRJCOPH-UHFFFAOYSA-N
XLogP1.60
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-4-fluoro-5-methylbenzaldehyde
CID 117276479
4-fluoro-5-methoxy-2-(methylaminomethyl)benzaldehyde
CID 144870158
4-fluoro-2-methoxy-5-methylbenzaldehyde
CID 54566251
4-fluoro-2-hydrazinyl-5-methylbenzaldehyde
CID 154560984
5-fluoro-2-(isocyanatomethyl)-4-methylbenzaldehyde
CID 117283363
methyl 2-(5-chloro-2-formyl-4-methylphenyl)acetate
CID 171021917
ethyl 5-fluoro-2-formyl-4-methylbenzoate
CID 164891826
1-(5-chloro-2-fluorophenyl)-N-methoxymethanamine
CID 114842560
1-(5-ethyl-2,3-difluorophenyl)-N-methoxymethanamine
CID 117289981
N-methoxy-1-(2,3,5-trifluoro-4-methylsulfanylphenyl)methanamine
CID 117346251
1-(3-bromo-5-fluoro-2,4-dimethoxyphenyl)-N-methoxymethanamine
CID 117474393
2,4-difluoro-5-[(methoxyamino)methyl]benzoic acid
CID 117308807

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde?
The IUPAC name of 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde (CID 117286732) is 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde.
What is the SMILES notation for 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde?
The canonical SMILES for 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde is CONCc1cc(F)c(C)cc1C=O.
What is the InChIKey of 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde?
The InChIKey is SIOAGXSKRJCOPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-7-3-9(6-13)8(4-10(7)11)5-12-14-2/h3-4,6,12H,5H2,1-2H3.
What are the key properties of 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde?
4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde has a molecular weight of 197.21 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(methoxyamino)methyl]-5-methylbenzaldehyde is sourced from PubChem (CID 117286732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).