3-[2-(difluoromethyl)-5-methoxyphenyl]propanal

C11H12F2O2 — CID 117305190

IUPAC3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
SMILESCOc1ccc(C(F)F)c(CCC=O)c1
InChIInChI=1S/C11H12F2O2/c1-15-9-4-5-10(11(12)13)8(7-9)3-2-6-14/h4-7,11H,2-3H2,1H3
InChIKeyPOWNEKWDPAXENX-UHFFFAOYSA-N
MW214.21 g/mol
LogP2.76
Rot. Bonds5

About 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal

3-[2-(difluoromethyl)-5-methoxyphenyl]propanal (PubChem CID 117305190) has the molecular formula C11H12F2O2 and a molecular weight of 214.21 g/mol. Its IUPAC name is 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal.

Molecular Properties

Compound Name3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
PubChem CID117305190
Molecular FormulaC11H12F2O2
Molecular Weight214.21 g/mol
Exact Mass214.08
IUPAC Name3-[2-(difluoromethyl)-5-methoxyphenyl]propanal
SMILESCOc1ccc(C(F)F)c(CCC=O)c1
InChIInChI=1S/C11H12F2O2/c1-15-9-4-5-10(11(12)13)8(7-9)3-2-6-14/h4-7,11H,2-3H2,1H3
InChIKeyPOWNEKWDPAXENX-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-one
CID 84680204
1-[2-(difluoromethyl)-5-methoxyphenyl]propan-2-amine
CID 117306605
1-[2-(difluoromethyl)-5-methoxyphenyl]-2-methylpropan-2-amine
CID 117330484
3-[4-(difluoromethyl)-3-ethylphenyl]propanal
CID 118801356
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612
(E)-3-[4-(difluoromethyl)-3-(3-oxopropyl)phenyl]prop-2-enoic acid
CID 118828896
3-[2-methoxy-5-(trifluoromethoxy)phenyl]propanal
CID 134621524
3-(6-methoxyquinolin-4-yl)propanal
CID 10751165
3-(3-bromo-2,5-dimethoxyphenyl)propanal
CID 117434967
methyl 3-[2-(difluoromethyl)-5-(trifluoromethoxy)phenyl]propanoate
CID 134634475
3-[4-(difluoromethoxy)-2-ethoxyphenyl]propanal
CID 118834404
3-[2-(difluoromethyl)-4-methoxyphenyl]propanenitrile
CID 118826042

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal?
The IUPAC name of 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal (CID 117305190) is 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal.
What is the SMILES notation for 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal?
The canonical SMILES for 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal is COc1ccc(C(F)F)c(CCC=O)c1.
What is the InChIKey of 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal?
The InChIKey is POWNEKWDPAXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2O2/c1-15-9-4-5-10(11(12)13)8(7-9)3-2-6-14/h4-7,11H,2-3H2,1H3.
What are the key properties of 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal?
3-[2-(difluoromethyl)-5-methoxyphenyl]propanal has a molecular weight of 214.21 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethyl)-5-methoxyphenyl]propanal is sourced from PubChem (CID 117305190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).