3-chloro-5-fluoro-2,6-dimethylbenzaldehyde

C9H8ClFO — CID 84732821

IUPAC3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
SMILESCc1c(F)cc(Cl)c(C)c1C=O
InChIInChI=1S/C9H8ClFO/c1-5-7(4-12)6(2)9(11)3-8(5)10/h3-4H,1-2H3
InChIKeyHKGIGEBOPNSCKW-UHFFFAOYSA-N
MW186.61 g/mol
LogP2.91
Rot. Bonds1

About 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde

3-chloro-5-fluoro-2,6-dimethylbenzaldehyde (PubChem CID 84732821) has the molecular formula C9H8ClFO and a molecular weight of 186.61 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde.

Molecular Properties

Compound Name3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
PubChem CID84732821
Molecular FormulaC9H8ClFO
Molecular Weight186.61 g/mol
Exact Mass186.02
IUPAC Name3-chloro-5-fluoro-2,6-dimethylbenzaldehyde
SMILESCc1c(F)cc(Cl)c(C)c1C=O
InChIInChI=1S/C9H8ClFO/c1-5-7(4-12)6(2)9(11)3-8(5)10/h3-4H,1-2H3
InChIKeyHKGIGEBOPNSCKW-UHFFFAOYSA-N
XLogP2.91
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.61
LogP ≤ 52.91
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

2-bromo-4-chloro-6-fluoro-3-methylbenzaldehyde
CID 139346154
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2-chloro-6-fluoro-4-methylbenzaldehyde
CID 90021510
2,5-dichloro-3,6-difluorobenzaldehyde
CID 51000168
3-fluoro-2-methylnaphthalene-1-carbaldehyde
CID 141170749
2-chloro-4,6-difluorobenzaldehyde
CID 88504235
1,5-dichloro-3-fluoro-2-methylbenzene;ethane
CID 142574555
(3,5-difluoro-2-formyl-4-methylphenyl)boronic acid
CID 155293780
2-chloro-4-(dimethylamino)-6-fluorobenzaldehyde
CID 170904047
1,5-dichloro-2,3,4-trimethylbenzene
CID 21488192
2-[(E)-3-aminoprop-1-enyl]-4-chloro-6-fluoro-3-methylphenol
CID 117307304
3-chloro-5-fluoro-4-methylbenzoyl chloride
CID 130777927

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde?
The IUPAC name of 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde (CID 84732821) is 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde.
What is the SMILES notation for 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde?
The canonical SMILES for 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde is Cc1c(F)cc(Cl)c(C)c1C=O.
What is the InChIKey of 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde?
The InChIKey is HKGIGEBOPNSCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFO/c1-5-7(4-12)6(2)9(11)3-8(5)10/h3-4H,1-2H3.
What are the key properties of 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde?
3-chloro-5-fluoro-2,6-dimethylbenzaldehyde has a molecular weight of 186.61 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2,6-dimethylbenzaldehyde is sourced from PubChem (CID 84732821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).