[4-(1-fluoroethyl)phenyl] acetate

C10H11FO2 — CID 90646044

IUPAC[4-(1-fluoroethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)F)cc1
InChIInChI=1S/C10H11FO2/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-7H,1-2H3
InChIKeyYZFZLTUGBFOQAR-UHFFFAOYSA-N
MW182.19 g/mol
LogP2.64
Rot. Bonds2

About [4-(1-fluoroethyl)phenyl] acetate

[4-(1-fluoroethyl)phenyl] acetate (PubChem CID 90646044) has the molecular formula C10H11FO2 and a molecular weight of 182.19 g/mol. Its IUPAC name is [4-(1-fluoroethyl)phenyl] acetate.

Molecular Properties

Compound Name[4-(1-fluoroethyl)phenyl] acetate
PubChem CID90646044
Molecular FormulaC10H11FO2
Molecular Weight182.19 g/mol
Exact Mass182.07
IUPAC Name[4-(1-fluoroethyl)phenyl] acetate
SMILESCC(=O)Oc1ccc(C(C)F)cc1
InChIInChI=1S/C10H11FO2/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-7H,1-2H3
InChIKeyYZFZLTUGBFOQAR-UHFFFAOYSA-N
XLogP2.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.19
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(1-fluoroethyl)phenyl] acetate?
The IUPAC name of [4-(1-fluoroethyl)phenyl] acetate (CID 90646044) is [4-(1-fluoroethyl)phenyl] acetate.
What is the SMILES notation for [4-(1-fluoroethyl)phenyl] acetate?
The canonical SMILES for [4-(1-fluoroethyl)phenyl] acetate is CC(=O)Oc1ccc(C(C)F)cc1.
What is the InChIKey of [4-(1-fluoroethyl)phenyl] acetate?
The InChIKey is YZFZLTUGBFOQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO2/c1-7(11)9-3-5-10(6-4-9)13-8(2)12/h3-7H,1-2H3.
What are the key properties of [4-(1-fluoroethyl)phenyl] acetate?
[4-(1-fluoroethyl)phenyl] acetate has a molecular weight of 182.19 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluoroethyl)phenyl] acetate is sourced from PubChem (CID 90646044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).