3-methoxy-3-phenylpropanoyl fluoride

C10H11FO2 — CID 101366795

IUPAC3-methoxy-3-phenylpropanoyl fluoride
SMILESCOC(CC(=O)F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyWCXMFBZKGKCXOV-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.26
Rot. Bonds4

About 3-methoxy-3-phenylpropanoyl fluoride

3-methoxy-3-phenylpropanoyl fluoride (PubChem CID 101366795) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 3-methoxy-3-phenylpropanoyl fluoride.

Molecular Properties

Compound Name3-methoxy-3-phenylpropanoyl fluoride
PubChem CID101366795
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name3-methoxy-3-phenylpropanoyl fluoride
SMILESCOC(CC(=O)F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
InChIKeyWCXMFBZKGKCXOV-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
1-Phenylethyl propionate
CID 8432
Benzyl hexanoate
CID 23367
1-Phenylethyl Acetate
CID 62341
Benzyl acetoacetate
CID 142266
alpha-Methylbenzyl butyrate
CID 570574
Benzyl laurate
CID 8791
1-Phenylpropyl butyrate
CID 61447
Benzyl octanoate
CID 82511
Benzyl caprate
CID 562246
METHYL beta-PHENYLGLYCIDATE
CID 86834
1-Phenylpropyl acetate
CID 101134

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenylpropanoyl fluoride?
The IUPAC name of 3-methoxy-3-phenylpropanoyl fluoride (CID 101366795) is 3-methoxy-3-phenylpropanoyl fluoride.
What is the SMILES notation for 3-methoxy-3-phenylpropanoyl fluoride?
The canonical SMILES for 3-methoxy-3-phenylpropanoyl fluoride is COC(CC(=O)F)c1ccccc1.
What is the InChIKey of 3-methoxy-3-phenylpropanoyl fluoride?
The InChIKey is WCXMFBZKGKCXOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-13-9(7-10(11)12)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3.
What are the key properties of 3-methoxy-3-phenylpropanoyl fluoride?
3-methoxy-3-phenylpropanoyl fluoride has a molecular weight of 182.19 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenylpropanoyl fluoride is sourced from PubChem (CID 101366795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).