2-[4-(difluoromethoxy)-2-methylphenyl]propanal

C11H12F2O2 — CID 135743389

IUPAC2-[4-(difluoromethoxy)-2-methylphenyl]propanal
SMILESCc1cc(OC(F)F)ccc1C(C)C=O
InChIInChI=1S/C11H12F2O2/c1-7-5-9(15-11(12)13)3-4-10(7)8(2)6-14/h3-6,8,11H,1-2H3
InChIKeyYRFIBELEIQMJCW-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.90
Rot. Bonds4

About 2-[4-(difluoromethoxy)-2-methylphenyl]propanal

2-[4-(difluoromethoxy)-2-methylphenyl]propanal (PubChem CID 135743389) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 2-[4-(difluoromethoxy)-2-methylphenyl]propanal.

Molecular Properties

Compound Name2-[4-(difluoromethoxy)-2-methylphenyl]propanal
PubChem CID135743389
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name2-[4-(difluoromethoxy)-2-methylphenyl]propanal
SMILESCc1cc(OC(F)F)ccc1C(C)C=O
InChIInChI=1S/C11H12F2O2/c1-7-5-9(15-11(12)13)3-4-10(7)8(2)6-14/h3-6,8,11H,1-2H3
InChIKeyYRFIBELEIQMJCW-UHFFFAOYSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.21
LogP ≤ 52.90
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

2-[2-(difluoromethoxy)-5-sulfanylphenyl]propanal
CID 134639707
1,4-bis(difluoromethoxy)-2-methylbenzene
CID 71140593
4-(difluoromethoxy)-2,6-dimethylbenzaldehyde
CID 131524664
2,4-bis(difluoromethoxy)-1-methylbenzene
CID 58550750
2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
[4-(difluoromethoxy)phenyl]-(4-methoxy-2-methylphenyl)methanol
CID 61101461
4-(difluoromethoxy)-2-fluoro-1-methylbenzene;ethane
CID 142506670
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
2-(1-bromo-2-oxopropyl)-5-(difluoromethoxy)benzaldehyde
CID 170837191
1-[4-(difluoromethoxy)-2,6-dimethylphenyl]ethanone
CID 131525559
2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 47095242
(5-methyl-2-propan-2-ylphenyl) 4-(difluoromethoxy)benzoate
CID 2461110

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethoxy)-2-methylphenyl]propanal?
The IUPAC name of 2-[4-(difluoromethoxy)-2-methylphenyl]propanal (CID 135743389) is 2-[4-(difluoromethoxy)-2-methylphenyl]propanal.
What is the SMILES notation for 2-[4-(difluoromethoxy)-2-methylphenyl]propanal?
The canonical SMILES for 2-[4-(difluoromethoxy)-2-methylphenyl]propanal is Cc1cc(OC(F)F)ccc1C(C)C=O.
What is the InChIKey of 2-[4-(difluoromethoxy)-2-methylphenyl]propanal?
The InChIKey is YRFIBELEIQMJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-7-5-9(15-11(12)13)3-4-10(7)8(2)6-14/h3-6,8,11H,1-2H3.
What are the key properties of 2-[4-(difluoromethoxy)-2-methylphenyl]propanal?
2-[4-(difluoromethoxy)-2-methylphenyl]propanal has a molecular weight of 214.21 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(difluoromethoxy)-2-methylphenyl]propanal is sourced from PubChem (CID 135743389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).