2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane

C11H13ClF2O4 — CID 143058060

IUPAC2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
SMILESCC.O=C(O)C(O)c1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C9H7ClF2O4.C2H6/c10-5-1-4(7(13)8(14)15)2-6(3-5)16-9(11)12;1-2/h1-3,7,9,13H,(H,14,15);1-2H3
InChIKeyHERYLHVSEUVTJK-UHFFFAOYSA-N
MW282.67 g/mol
LogP3.09
Rot. Bonds4

About 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane

2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane (PubChem CID 143058060) has the molecular formula C11H13ClF2O4 and a molecular weight of 282.67 g/mol. Its IUPAC name is 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane.

Molecular Properties

Compound Name2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
PubChem CID143058060
Molecular FormulaC11H13ClF2O4
Molecular Weight282.67 g/mol
Exact Mass282.05
IUPAC Name2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
SMILESCC.O=C(O)C(O)c1cc(Cl)cc(OC(F)F)c1
InChIInChI=1S/C9H7ClF2O4.C2H6/c10-5-1-4(7(13)8(14)15)2-6(3-5)16-9(11)12;1-2/h1-3,7,9,13H,(H,14,15);1-2H3
InChIKeyHERYLHVSEUVTJK-UHFFFAOYSA-N
XLogP3.09
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.67
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
CID 11183620
(2R)-2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;(2R)-pyrrolidine-2-carboxamide
CID 11326065
2-[3-(3-bromopropanoyl)-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134656662
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 72775330
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
2-(3,5-dimethoxyphenyl)-2-hydroxyacetic acid
CID 22346233
(2R)-2-[4,5-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129360
[3-chloro-5-(difluoromethoxy)phenyl] carbamate
CID 174190375
2-[3-chloro-5-(methylamino)phenyl]-2-hydroxyacetic acid;molecular iodine
CID 162022992
2-[3-(difluoromethoxy)-5-formyl-4-methylphenyl]-2-hydroxyacetic acid
CID 171026626
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane?
The IUPAC name of 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane (CID 143058060) is 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane.
What is the SMILES notation for 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane?
The canonical SMILES for 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane is CC.O=C(O)C(O)c1cc(Cl)cc(OC(F)F)c1.
What is the InChIKey of 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane?
The InChIKey is HERYLHVSEUVTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O4.C2H6/c10-5-1-4(7(13)8(14)15)2-6(3-5)16-9(11)12;1-2/h1-3,7,9,13H,(H,14,15);1-2H3.
What are the key properties of 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane?
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane has a molecular weight of 282.67 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane is sourced from PubChem (CID 143058060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).