2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde

C9H7F3O2 — CID 131378836

IUPAC2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
SMILESCc1cc(F)cc(C=O)c1OC(F)F
InChIInChI=1S/C9H7F3O2/c1-5-2-7(10)3-6(4-13)8(5)14-9(11)12/h2-4,9H,1H3
InChIKeyDIQGPXCMUZLJNW-UHFFFAOYSA-N
MW204.15 g/mol
LogP2.55
Rot. Bonds3

About 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde

2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde (PubChem CID 131378836) has the molecular formula C9H7F3O2 and a molecular weight of 204.15 g/mol. Its IUPAC name is 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde.

Molecular Properties

Compound Name2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
PubChem CID131378836
Molecular FormulaC9H7F3O2
Molecular Weight204.15 g/mol
Exact Mass204.04
IUPAC Name2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
SMILESCc1cc(F)cc(C=O)c1OC(F)F
InChIInChI=1S/C9H7F3O2/c1-5-2-7(10)3-6(4-13)8(5)14-9(11)12/h2-4,9H,1H3
InChIKeyDIQGPXCMUZLJNW-UHFFFAOYSA-N
XLogP2.55
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 52.55
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

4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
CID 171027705
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
CID 171002242
2-[2-(difluoromethoxy)-5-fluoro-3-formylphenyl]-2-hydroxyacetic acid
CID 171026260
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
CID 131525568
2-(difluoromethoxy)-3-formyl-6-methylbenzoic acid
CID 171026572
2-[4-(difluoromethoxy)-2-formyl-5-methylphenyl]acetic acid
CID 171032111
3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
2-(difluoromethoxy)-4-formyl-3-methylbenzoic acid
CID 171026428
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843
1-[4-(difluoromethoxy)-3,5-dimethylphenyl]ethanone
CID 131525563
4-acetyl-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171032064

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde?
The IUPAC name of 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde (CID 131378836) is 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde.
What is the SMILES notation for 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde?
The canonical SMILES for 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde is Cc1cc(F)cc(C=O)c1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde?
The InChIKey is DIQGPXCMUZLJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O2/c1-5-2-7(10)3-6(4-13)8(5)14-9(11)12/h2-4,9H,1H3.
What are the key properties of 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde?
2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde has a molecular weight of 204.15 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde is sourced from PubChem (CID 131378836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).