(2-fluoro-2-phenylethyl) acetate

C10H11FO2 — CID 152792744

IUPAC(2-fluoro-2-phenylethyl) acetate
SMILESCC(=O)OCC(F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-8(12)13-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeySIFADQSGTFUHIE-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.26
Rot. Bonds3

About (2-fluoro-2-phenylethyl) acetate

(2-fluoro-2-phenylethyl) acetate (PubChem CID 152792744) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is (2-fluoro-2-phenylethyl) acetate.

Molecular Properties

Compound Name(2-fluoro-2-phenylethyl) acetate
PubChem CID152792744
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name(2-fluoro-2-phenylethyl) acetate
SMILESCC(=O)OCC(F)c1ccccc1
InChIInChI=1S/C10H11FO2/c1-8(12)13-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3
InChIKeySIFADQSGTFUHIE-UHFFFAOYSA-N
XLogP2.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of (2-fluoro-2-phenylethyl) acetate?
The IUPAC name of (2-fluoro-2-phenylethyl) acetate (CID 152792744) is (2-fluoro-2-phenylethyl) acetate.
What is the SMILES notation for (2-fluoro-2-phenylethyl) acetate?
The canonical SMILES for (2-fluoro-2-phenylethyl) acetate is CC(=O)OCC(F)c1ccccc1.
What is the InChIKey of (2-fluoro-2-phenylethyl) acetate?
The InChIKey is SIFADQSGTFUHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-8(12)13-7-10(11)9-5-3-2-4-6-9/h2-6,10H,7H2,1H3.
What are the key properties of (2-fluoro-2-phenylethyl) acetate?
(2-fluoro-2-phenylethyl) acetate has a molecular weight of 182.19 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-2-phenylethyl) acetate is sourced from PubChem (CID 152792744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).