4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde

C10H8F2O3 — CID 171027705

IUPAC4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(C=O)cc(C=O)c1OC(F)F
InChIInChI=1S/C10H8F2O3/c1-6-2-7(4-13)3-8(5-14)9(6)15-10(11)12/h2-5,10H,1H3
InChIKeyJIAWMSINHZEJAT-UHFFFAOYSA-N
MW214.17 g/mol
LogP2.22
Rot. Bonds4

About 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde

4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde (PubChem CID 171027705) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
PubChem CID171027705
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Name4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde
SMILESCc1cc(C=O)cc(C=O)c1OC(F)F
InChIInChI=1S/C10H8F2O3/c1-6-2-7(4-13)3-8(5-14)9(6)15-10(11)12/h2-5,10H,1H3
InChIKeyJIAWMSINHZEJAT-UHFFFAOYSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(difluoromethoxy)-5-fluoro-3-methylbenzaldehyde
CID 131378836
2-(difluoromethoxy)-4-formyl-6-methylbenzoic acid
CID 171032084
2-(difluoromethoxy)-3-methoxyterephthalaldehyde
CID 171027843
2-(difluoromethoxy)-3,6-dimethylbenzaldehyde
CID 131525568
3-chloro-2-(difluoromethoxy)-5-fluorobenzaldehyde
CID 171002242
2-(difluoromethoxy)-3-formyl-6-methylbenzoic acid
CID 171026572
4-chloro-5-(difluoromethoxy)-2-methylbenzaldehyde
CID 171004500
2-[2-(difluoromethoxy)-5-fluoro-3-formylphenyl]-2-hydroxyacetic acid
CID 171026260
3-(difluoromethoxy)-2-fluoro-5-methylbenzaldehyde
CID 131567111
5-bromo-3-methyl-2-propan-2-yloxybenzaldehyde
CID 83901418
3-(difluoromethoxy)-2,5-dimethylbenzaldehyde
CID 131524669
3-fluoro-4-methoxy-5-methylbenzaldehyde
CID 83827035

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde?
The IUPAC name of 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde (CID 171027705) is 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde is Cc1cc(C=O)cc(C=O)c1OC(F)F.
What is the InChIKey of 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde?
The InChIKey is JIAWMSINHZEJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-6-2-7(4-13)3-8(5-14)9(6)15-10(11)12/h2-5,10H,1H3.
What are the key properties of 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde?
4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde has a molecular weight of 214.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-5-methylbenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 171027705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).