2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde

C11H13FO3 — CID 105465798

IUPAC2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde
SMILESCOc1cc(C)c(C(F)C=O)cc1OC
InChIInChI=1S/C11H13FO3/c1-7-4-10(14-2)11(15-3)5-8(7)9(12)6-13/h4-6,9H,1-3H3
InChIKeyCIVZUSRNKSFQBZ-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.22
Rot. Bonds4

About 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde

2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde (PubChem CID 105465798) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde
PubChem CID105465798
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde
SMILESCOc1cc(C)c(C(F)C=O)cc1OC
InChIInChI=1S/C11H13FO3/c1-7-4-10(14-2)11(15-3)5-8(7)9(12)6-13/h4-6,9H,1-3H3
InChIKeyCIVZUSRNKSFQBZ-UHFFFAOYSA-N
XLogP2.22
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
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-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N-methylmethanamine
CID 116961940
2-(2,4,5-trimethoxyphenyl)propanal
CID 46896304
(2S)-2-bromo-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 135281200
2-amino-2-(5-chloro-4-methoxy-2-methylphenyl)acetaldehyde
CID 116939033
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)propan-2-one
CID 116859802
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
2-chloro-1-(4,5-dimethoxy-2-methylphenyl)propan-1-ol
CID 116863696
1-bromo-1-(4,5-dimethoxy-2-methylphenyl)-N,N-dimethylmethanamine
CID 116915074
6-(difluoromethyl)-3-methoxy-5-methylpyridine-2-carbaldehyde
CID 118814889
(3,5-difluorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanamine
CID 43626695
3-amino-3-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 116850956

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde (CID 105465798) is 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde is COc1cc(C)c(C(F)C=O)cc1OC.
What is the InChIKey of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde?
The InChIKey is CIVZUSRNKSFQBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-7-4-10(14-2)11(15-3)5-8(7)9(12)6-13/h4-6,9H,1-3H3.
What are the key properties of 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde?
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde has a molecular weight of 212.22 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 2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde is sourced from PubChem (CID 105465798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).