ethyl 2-(2-chlorophenyl)-2-fluoropropanoate

C11H12ClFO2 — CID 105488753

IUPACethyl 2-(2-chlorophenyl)-2-fluoropropanoate
SMILESCCOC(=O)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-3-15-10(14)11(2,13)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3
InChIKeyVHAVLOLJJWVJQH-UHFFFAOYSA-N
MW230.67 g/mol
LogP3.09
Rot. Bonds3

About ethyl 2-(2-chlorophenyl)-2-fluoropropanoate

ethyl 2-(2-chlorophenyl)-2-fluoropropanoate (PubChem CID 105488753) has the molecular formula C11H12ClFO2 and a molecular weight of 230.67 g/mol. Its IUPAC name is ethyl 2-(2-chlorophenyl)-2-fluoropropanoate.

Molecular Properties

Compound Nameethyl 2-(2-chlorophenyl)-2-fluoropropanoate
PubChem CID105488753
Molecular FormulaC11H12ClFO2
Molecular Weight230.67 g/mol
Exact Mass230.05
IUPAC Nameethyl 2-(2-chlorophenyl)-2-fluoropropanoate
SMILESCCOC(=O)C(C)(F)c1ccccc1Cl
InChIInChI=1S/C11H12ClFO2/c1-3-15-10(14)11(2,13)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3
InChIKeyVHAVLOLJJWVJQH-UHFFFAOYSA-N
XLogP3.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneacetic acid, alpha-methyl-, ethyl ester
CID 99643
Benzeneacetic acid, 4-chloro-alpha-(1-methylethyl)-
CID 16197
o-Chlorophenylacetic acid
CID 17124
Ethyl chlorophenylacetate
CID 97752
2-Chloro-6-fluorophenylacetic acid
CID 123464
2-(2-Chloro-4-fluorophenyl)acetic acid
CID 2725061
Methyl (2-chlorophenyl)acetate
CID 93683
DL-2-(4-chlorophenyl)propanoic acid
CID 102525
Methyl 4-chlorophenylacetate
CID 104196
Benzeneacetic acid, alpha,alpha-dichloro-, ethyl ester
CID 79209
2-(4-Chlorophenyl)butanoic acid
CID 34658
Benzeneacetic acid, 3,4-dichloro-alpha,alpha-difluoro-, ethyl ester
CID 171496

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chlorophenyl)-2-fluoropropanoate?
The IUPAC name of ethyl 2-(2-chlorophenyl)-2-fluoropropanoate (CID 105488753) is ethyl 2-(2-chlorophenyl)-2-fluoropropanoate.
What is the SMILES notation for ethyl 2-(2-chlorophenyl)-2-fluoropropanoate?
The canonical SMILES for ethyl 2-(2-chlorophenyl)-2-fluoropropanoate is CCOC(=O)C(C)(F)c1ccccc1Cl.
What is the InChIKey of ethyl 2-(2-chlorophenyl)-2-fluoropropanoate?
The InChIKey is VHAVLOLJJWVJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO2/c1-3-15-10(14)11(2,13)8-6-4-5-7-9(8)12/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-chlorophenyl)-2-fluoropropanoate?
ethyl 2-(2-chlorophenyl)-2-fluoropropanoate has a molecular weight of 230.67 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chlorophenyl)-2-fluoropropanoate is sourced from PubChem (CID 105488753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).