4-fluoro-2-methylbenzaldehyde

C8H7FO — CID 2783217

IUPAC4-fluoro-2-methylbenzaldehyde
SMILESCc1cc(F)ccc1C=O
InChIInChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKeyADCFIKGEGWFWEA-UHFFFAOYSA-N
MW138.14 g/mol
LogP1.95
Rot. Bonds1

About 4-fluoro-2-methylbenzaldehyde

4-fluoro-2-methylbenzaldehyde (PubChem CID 2783217) has the molecular formula C8H7FO and a molecular weight of 138.14 g/mol. Its IUPAC name is 4-fluoro-2-methylbenzaldehyde.

Molecular Properties

Compound Name4-fluoro-2-methylbenzaldehyde
PubChem CID2783217
Molecular FormulaC8H7FO
Molecular Weight138.14 g/mol
Exact Mass138.05
IUPAC Name4-fluoro-2-methylbenzaldehyde
SMILESCc1cc(F)ccc1C=O
InChIInChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3
InChIKeyADCFIKGEGWFWEA-UHFFFAOYSA-N
XLogP1.95
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.14
LogP ≤ 51.95
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

(Z)-2-(4-fluoro-2-methylphenyl)ethenol
CID 134485397
2-methyl-4-(trifluoromethyl)benzaldehyde
CID 23340632
CID 89029471
CID 89029471
2-methyl-4-(3,4,5-trifluorophenyl)benzaldehyde
CID 172650737
4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
3-(4-fluoro-2-methylphenyl)prop-2-enenitrile
CID 54550703
3-(4-fluoro-2-methylphenoxy)-4-formylbenzonitrile
CID 126636524
4-(2,3-difluorophenoxy)-2-methylbenzaldehyde
CID 63038344
N-(4-fluoro-2-methylphenyl)formamide
CID 64992173
2-(bromomethyl)-4-fluorobenzaldehyde
CID 98041715
ethyl 5-fluoro-2-formylbenzoate
CID 124705480

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methylbenzaldehyde?
The IUPAC name of 4-fluoro-2-methylbenzaldehyde (CID 2783217) is 4-fluoro-2-methylbenzaldehyde.
What is the SMILES notation for 4-fluoro-2-methylbenzaldehyde?
The canonical SMILES for 4-fluoro-2-methylbenzaldehyde is Cc1cc(F)ccc1C=O.
What is the InChIKey of 4-fluoro-2-methylbenzaldehyde?
The InChIKey is ADCFIKGEGWFWEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO/c1-6-4-8(9)3-2-7(6)5-10/h2-5H,1H3.
What are the key properties of 4-fluoro-2-methylbenzaldehyde?
4-fluoro-2-methylbenzaldehyde has a molecular weight of 138.14 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methylbenzaldehyde is sourced from PubChem (CID 2783217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).