2-(2-fluoro-4-formylphenoxy)ethyl acetate

C11H11FO4 — CID 87179406

IUPAC2-(2-fluoro-4-formylphenoxy)ethyl acetate
SMILESCC(=O)OCCOc1ccc(C=O)cc1F
InChIInChI=1S/C11H11FO4/c1-8(14)15-4-5-16-11-3-2-9(7-13)6-10(11)12/h2-3,6-7H,4-5H2,1H3
InChIKeyMHJJJFXGIMVCNH-UHFFFAOYSA-N
MW226.20 g/mol
LogP1.58
Rot. Bonds5

About 2-(2-fluoro-4-formylphenoxy)ethyl acetate

2-(2-fluoro-4-formylphenoxy)ethyl acetate (PubChem CID 87179406) has the molecular formula C11H11FO4 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2-(2-fluoro-4-formylphenoxy)ethyl acetate.

Molecular Properties

Compound Name2-(2-fluoro-4-formylphenoxy)ethyl acetate
PubChem CID87179406
Molecular FormulaC11H11FO4
Molecular Weight226.20 g/mol
Exact Mass226.06
IUPAC Name2-(2-fluoro-4-formylphenoxy)ethyl acetate
SMILESCC(=O)OCCOc1ccc(C=O)cc1F
InChIInChI=1S/C11H11FO4/c1-8(14)15-4-5-16-11-3-2-9(7-13)6-10(11)12/h2-3,6-7H,4-5H2,1H3
InChIKeyMHJJJFXGIMVCNH-UHFFFAOYSA-N
XLogP1.58
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

10-(2-fluoro-4-prop-1-enylphenoxy)decyl acetate
CID 59638882
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
3-fluoro-4-(3-fluoropropoxy)benzaldehyde
CID 103850099
3-fluoro-4-[2-(trifluoromethoxy)ethoxy]benzaldehyde
CID 107689571
2-(2-fluoro-4-formylphenoxy)-N,N-dimethylacetamide
CID 103850142
3-fluoro-4-(4-phenylbutoxy)benzaldehyde
CID 107689474
3-fluoro-4-(2-thiophen-2-ylethoxy)benzaldehyde
CID 102670875
4-(ethoxymethoxy)-3-fluorobenzaldehyde
CID 107689657
(E)-4-(2-fluoro-4-formylphenoxy)but-2-enoic acid
CID 107685164
2-(2-fluoro-4-formylphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 113338147
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
4-[(2-fluoro-4-formylphenoxy)methyl]benzohydrazide
CID 107693710

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-formylphenoxy)ethyl acetate?
The IUPAC name of 2-(2-fluoro-4-formylphenoxy)ethyl acetate (CID 87179406) is 2-(2-fluoro-4-formylphenoxy)ethyl acetate.
What is the SMILES notation for 2-(2-fluoro-4-formylphenoxy)ethyl acetate?
The canonical SMILES for 2-(2-fluoro-4-formylphenoxy)ethyl acetate is CC(=O)OCCOc1ccc(C=O)cc1F.
What is the InChIKey of 2-(2-fluoro-4-formylphenoxy)ethyl acetate?
The InChIKey is MHJJJFXGIMVCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FO4/c1-8(14)15-4-5-16-11-3-2-9(7-13)6-10(11)12/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(2-fluoro-4-formylphenoxy)ethyl acetate?
2-(2-fluoro-4-formylphenoxy)ethyl acetate has a molecular weight of 226.20 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-formylphenoxy)ethyl acetate is sourced from PubChem (CID 87179406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).