ethyl 2-(4-chlorophenyl)-2-fluoroacetate

C10H10ClFO2 — CID 13194587

IUPACethyl 2-(4-chlorophenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyMTCQWJBAANNXRM-UHFFFAOYSA-N
MW216.64 g/mol
LogP2.91
Rot. Bonds3

About ethyl 2-(4-chlorophenyl)-2-fluoroacetate

ethyl 2-(4-chlorophenyl)-2-fluoroacetate (PubChem CID 13194587) has the molecular formula C10H10ClFO2 and a molecular weight of 216.64 g/mol. Its IUPAC name is ethyl 2-(4-chlorophenyl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(4-chlorophenyl)-2-fluoroacetate
PubChem CID13194587
Molecular FormulaC10H10ClFO2
Molecular Weight216.64 g/mol
Exact Mass216.04
IUPAC Nameethyl 2-(4-chlorophenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1ccc(Cl)cc1
InChIInChI=1S/C10H10ClFO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyMTCQWJBAANNXRM-UHFFFAOYSA-N
XLogP2.91
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.64
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-chlorophenyl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(4-chlorophenyl)-2-fluoroacetate (CID 13194587) is ethyl 2-(4-chlorophenyl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(4-chlorophenyl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(4-chlorophenyl)-2-fluoroacetate is CCOC(=O)C(F)c1ccc(Cl)cc1.
What is the InChIKey of ethyl 2-(4-chlorophenyl)-2-fluoroacetate?
The InChIKey is MTCQWJBAANNXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFO2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-(4-chlorophenyl)-2-fluoroacetate?
ethyl 2-(4-chlorophenyl)-2-fluoroacetate has a molecular weight of 216.64 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chlorophenyl)-2-fluoroacetate is sourced from PubChem (CID 13194587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).