3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal

C11H10F2O2 — CID 79330784

IUPAC3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
SMILESCC(C=O)=Cc1ccccc1OC(F)F
InChIInChI=1S/C11H10F2O2/c1-8(7-14)6-9-4-2-3-5-10(9)15-11(12)13/h2-7,11H,1H3
InChIKeyIMLZSTAZGKYKNK-UHFFFAOYSA-N
MW212.19 g/mol
LogP2.89
Rot. Bonds4

About 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal

3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal (PubChem CID 79330784) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
PubChem CID79330784
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Name3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
SMILESCC(C=O)=Cc1ccccc1OC(F)F
InChIInChI=1S/C11H10F2O2/c1-8(7-14)6-9-4-2-3-5-10(9)15-11(12)13/h2-7,11H,1H3
InChIKeyIMLZSTAZGKYKNK-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-2-amine
CID 103091905
[2-(difluoromethoxy)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91805708
1-[2-(chloromethyl)but-1-enyl]-2-(difluoromethoxy)benzene
CID 79334225
2-acetyl-3-(difluoromethoxy)benzaldehyde
CID 170996257
1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene
CID 76948376
N-[3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enyl]cyclopropanamine
CID 79340533
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
1-[2-(difluoromethoxy)phenyl]-N-[[2-(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2341684
(Z)-2-benzoyl-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 74766181
(E)-4-[2-(difluoromethoxy)phenyl]but-3-en-2-amine
CID 103091591
(E)-N-tert-butyl-3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 47137697
(E)-2-cyano-3-[2-(difluoromethoxy)phenyl]-N-(4-methoxyphenyl)prop-2-enamide
CID 7972150

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal?
The IUPAC name of 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal (CID 79330784) is 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal.
What is the SMILES notation for 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal?
The canonical SMILES for 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal is CC(C=O)=Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal?
The InChIKey is IMLZSTAZGKYKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-8(7-14)6-9-4-2-3-5-10(9)15-11(12)13/h2-7,11H,1H3.
What are the key properties of 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal?
3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal has a molecular weight of 212.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal is sourced from PubChem (CID 79330784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).