3-[2-(difluoromethoxy)-5-methylphenyl]propanal

C11H12F2O2 — CID 118848434

IUPAC3-[2-(difluoromethoxy)-5-methylphenyl]propanal
SMILESCc1ccc(OC(F)F)c(CCC=O)c1
InChIInChI=1S/C11H12F2O2/c1-8-4-5-10(15-11(12)13)9(7-8)3-2-6-14/h4-7,11H,2-3H2,1H3
InChIKeyFPNWXSAZLKXYOD-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.73
Rot. Bonds5

About 3-[2-(difluoromethoxy)-5-methylphenyl]propanal

3-[2-(difluoromethoxy)-5-methylphenyl]propanal (PubChem CID 118848434) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-methylphenyl]propanal.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-methylphenyl]propanal
PubChem CID118848434
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name3-[2-(difluoromethoxy)-5-methylphenyl]propanal
SMILESCc1ccc(OC(F)F)c(CCC=O)c1
InChIInChI=1S/C11H12F2O2/c1-8-4-5-10(15-11(12)13)9(7-8)3-2-6-14/h4-7,11H,2-3H2,1H3
InChIKeyFPNWXSAZLKXYOD-UHFFFAOYSA-N
XLogP2.73
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.73
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)-3-(3-oxopropyl)benzonitrile
CID 118823117
1-[2-(difluoromethoxy)-5-methylphenyl]-N-methylmethanamine
CID 63323622
3-[2-(difluoromethoxy)-4-hydroxyphenyl]propanal
CID 134621127
3-[5-chloro-2-(difluoromethoxy)-4-methoxyphenyl]propanal
CID 174901017
3-(5-methyl-2-propan-2-ylphenyl)propanal
CID 143556879
methyl 3-(difluoromethoxy)-4-(3-oxopropyl)benzoate
CID 134649793
3-[2-bromo-3-(difluoromethoxy)phenyl]propanal
CID 134621335
3-[4-(difluoromethoxy)-2-fluorophenyl]propanal
CID 134621994
3-[4-(difluoromethoxy)-2-ethoxyphenyl]propanal
CID 118834404
1-(difluoromethoxy)-2-iodo-4-methylbenzene
CID 118823118
4-(difluoromethoxy)-3-(2-oxopropyl)benzaldehyde
CID 118801726
3-[3-(difluoromethoxy)-4-fluorophenyl]propanal
CID 75406618

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-methylphenyl]propanal?
The IUPAC name of 3-[2-(difluoromethoxy)-5-methylphenyl]propanal (CID 118848434) is 3-[2-(difluoromethoxy)-5-methylphenyl]propanal.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-methylphenyl]propanal?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-methylphenyl]propanal is Cc1ccc(OC(F)F)c(CCC=O)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-methylphenyl]propanal?
The InChIKey is FPNWXSAZLKXYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-8-4-5-10(15-11(12)13)9(7-8)3-2-6-14/h4-7,11H,2-3H2,1H3.
What are the key properties of 3-[2-(difluoromethoxy)-5-methylphenyl]propanal?
3-[2-(difluoromethoxy)-5-methylphenyl]propanal has a molecular weight of 214.21 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-methylphenyl]propanal is sourced from PubChem (CID 118848434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).