2-phenylmethoxypropanoyl fluoride

C10H11FO2 — CID 78068195

IUPAC2-phenylmethoxypropanoyl fluoride
SMILESCC(OCc1ccccc1)C(=O)F
InChIInChI=1S/C10H11FO2/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyDCWGHGFMECAPFO-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.09
Rot. Bonds4

About 2-phenylmethoxypropanoyl fluoride

2-phenylmethoxypropanoyl fluoride (PubChem CID 78068195) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is 2-phenylmethoxypropanoyl fluoride.

Molecular Properties

Compound Name2-phenylmethoxypropanoyl fluoride
PubChem CID78068195
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name2-phenylmethoxypropanoyl fluoride
SMILESCC(OCc1ccccc1)C(=O)F
InChIInChI=1S/C10H11FO2/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3
InChIKeyDCWGHGFMECAPFO-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
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

Benzyl acetate
CID 8785
Benzyl butyrate
CID 7650
Benzyl tiglate
CID 250096
1-Phenylethyl propionate
CID 8432
Benzyl isobutyrate
CID 7646
Benzyl isovalerate
CID 7651
Benzyl propionate
CID 31219
1-Phenylethyl Acetate
CID 62341
Benzyl methacrylate
CID 17236
Benzyl ethyl ether
CID 10873
alpha-Methylbenzyl formate
CID 346286
Benzyl butyl ether
CID 61134

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxypropanoyl fluoride?
The IUPAC name of 2-phenylmethoxypropanoyl fluoride (CID 78068195) is 2-phenylmethoxypropanoyl fluoride.
What is the SMILES notation for 2-phenylmethoxypropanoyl fluoride?
The canonical SMILES for 2-phenylmethoxypropanoyl fluoride is CC(OCc1ccccc1)C(=O)F.
What is the InChIKey of 2-phenylmethoxypropanoyl fluoride?
The InChIKey is DCWGHGFMECAPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-8(10(11)12)13-7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3.
What are the key properties of 2-phenylmethoxypropanoyl fluoride?
2-phenylmethoxypropanoyl fluoride has a molecular weight of 182.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxypropanoyl fluoride is sourced from PubChem (CID 78068195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).