3-fluoro-2,5-dimethylbenzaldehyde

C9H9FO — CID 84763320

IUPAC3-fluoro-2,5-dimethylbenzaldehyde
SMILESCc1cc(F)c(C)c(C=O)c1
InChIInChI=1S/C9H9FO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-5H,1-2H3
InChIKeyVYRFGORFMAKGIE-UHFFFAOYSA-N
MW152.17 g/mol
LogP2.26
Rot. Bonds1

About 3-fluoro-2,5-dimethylbenzaldehyde

3-fluoro-2,5-dimethylbenzaldehyde (PubChem CID 84763320) has the molecular formula C9H9FO and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethylbenzaldehyde.

Molecular Properties

Compound Name3-fluoro-2,5-dimethylbenzaldehyde
PubChem CID84763320
Molecular FormulaC9H9FO
Molecular Weight152.17 g/mol
Exact Mass152.06
IUPAC Name3-fluoro-2,5-dimethylbenzaldehyde
SMILESCc1cc(F)c(C)c(C=O)c1
InChIInChI=1S/C9H9FO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-5H,1-2H3
InChIKeyVYRFGORFMAKGIE-UHFFFAOYSA-N
XLogP2.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 144806033
CID 144806033
N-(2-fluoro-6-formyl-4-methylphenyl)acetamide
CID 84773346
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
2-amino-5-fluoro-3,4-dimethylbenzaldehyde
CID 175130413
methyl 2-fluoro-6-formyl-4-methylbenzoate
CID 171011352
3-chloro-2-fluoro-5-methylbenzaldehyde
CID 84654476
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
amino (2-fluoro-6-formyl-4-methylphenyl) hydrogen phosphate
CID 163230115
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
2-ethyl-5-methylbenzene-1,3-dicarbaldehyde
CID 14045532
3,5-dimethylphthalaldehyde
CID 23156924
3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dimethylbenzaldehyde?
The IUPAC name of 3-fluoro-2,5-dimethylbenzaldehyde (CID 84763320) is 3-fluoro-2,5-dimethylbenzaldehyde.
What is the SMILES notation for 3-fluoro-2,5-dimethylbenzaldehyde?
The canonical SMILES for 3-fluoro-2,5-dimethylbenzaldehyde is Cc1cc(F)c(C)c(C=O)c1.
What is the InChIKey of 3-fluoro-2,5-dimethylbenzaldehyde?
The InChIKey is VYRFGORFMAKGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO/c1-6-3-8(5-11)7(2)9(10)4-6/h3-5H,1-2H3.
What are the key properties of 3-fluoro-2,5-dimethylbenzaldehyde?
3-fluoro-2,5-dimethylbenzaldehyde has a molecular weight of 152.17 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethylbenzaldehyde is sourced from PubChem (CID 84763320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).