ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate

C11H11ClF2O3 — CID 117416044

IUPACethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(Cl)c1C(F)F
InChIInChI=1S/C11H11ClF2O3/c1-2-17-11(16)9(15)6-4-3-5-7(12)8(6)10(13)14/h3-5,9-10,15H,2H2,1H3
InChIKeyBKRQYDSTKJCYGP-UHFFFAOYSA-N
MW264.66 g/mol
LogP2.87
Rot. Bonds4

About ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate

ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate (PubChem CID 117416044) has the molecular formula C11H11ClF2O3 and a molecular weight of 264.66 g/mol. Its IUPAC name is ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
PubChem CID117416044
Molecular FormulaC11H11ClF2O3
Molecular Weight264.66 g/mol
Exact Mass264.04
IUPAC Nameethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
SMILESCCOC(=O)C(O)c1cccc(Cl)c1C(F)F
InChIInChI=1S/C11H11ClF2O3/c1-2-17-11(16)9(15)6-4-3-5-7(12)8(6)10(13)14/h3-5,9-10,15H,2H2,1H3
InChIKeyBKRQYDSTKJCYGP-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-chloro-2-hydroxyphenyl)-2-hydroxyacetate
CID 117333177
ethyl 2-[3-fluoro-2-(1-fluoroethyl)phenyl]-2-hydroxyacetate
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CID 62393511
ethyl 2-(2,3-dihydroxyphenyl)-2-hydroxyacetate
CID 10198230
ethyl 2-hydroxy-2-(3-hydroxy-2-methylphenyl)acetate
CID 117300125
diethyl 2-(3-chloro-2-fluorophenyl)propanedioate
CID 86045257
ethyl 2-(7-chloro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073313
ethyl 2-[(2,6-dichlorophenyl)-hydroxymethyl]pentanoate
CID 83043683
ethyl 2-amino-3-(3-chloro-2-fluorophenyl)-3-hydroxypropanoate
CID 114488235
ethyl 2-[2-(fluoromethyl)phenyl]-2-hydroxyacetate
CID 117302711
ethyl 2-hydroxy-2-(2-pentan-3-ylphenyl)acetate
CID 117379559
1-chloro-2-(difluoromethyl)-3-propan-2-ylbenzene
CID 169127619

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate?
The IUPAC name of ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate (CID 117416044) is ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate.
What is the SMILES notation for ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate?
The canonical SMILES for ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate is CCOC(=O)C(O)c1cccc(Cl)c1C(F)F.
What is the InChIKey of ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate?
The InChIKey is BKRQYDSTKJCYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF2O3/c1-2-17-11(16)9(15)6-4-3-5-7(12)8(6)10(13)14/h3-5,9-10,15H,2H2,1H3.
What are the key properties of ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate?
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate has a molecular weight of 264.66 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate is sourced from PubChem (CID 117416044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).