2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C10H5ClF6O3 — CID 134655874

IUPAC2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H5ClF6O3/c11-4-2-1-3(9(12,13)14)6(10(15,16)17)5(4)7(18)8(19)20/h1-2,7,18H,(H,19,20)
InChIKeyKGZVZGHKGOPCRD-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.50
Rot. Bonds2

About 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 134655874) has the molecular formula C10H5ClF6O3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID134655874
Molecular FormulaC10H5ClF6O3
Molecular Weight322.59 g/mol
Exact Mass321.98
IUPAC Name2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c(Cl)ccc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H5ClF6O3/c11-4-2-1-3(9(12,13)14)6(10(15,16)17)5(4)7(18)8(19)20/h1-2,7,18H,(H,19,20)
InChIKeyKGZVZGHKGOPCRD-UHFFFAOYSA-N
XLogP3.50
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.59
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[6-ethyl-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118997873
2-hydroxy-2-[6-nitro-2,3-bis(trifluoromethyl)phenyl]acetic acid
CID 119002692
2-[3-bromo-2,6-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 118995986
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485
2-[6-amino-2-chloro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655848
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-(6-chloro-3-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117314963
2-[6-amino-2-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134658062
(2R)-2-[2-fluoro-6-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 57032402
(2S)-2-amino-2-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]acetic acid
CID 66513387
2-[3,6-dichloro-2-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 121228253
2-(3,6-dichloro-2-methoxyphenyl)-2-hydroxyacetic acid
CID 171009337

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 134655874) is 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1c(Cl)ccc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is KGZVZGHKGOPCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF6O3/c11-4-2-1-3(9(12,13)14)6(10(15,16)17)5(4)7(18)8(19)20/h1-2,7,18H,(H,19,20).
What are the key properties of 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid has a molecular weight of 322.59 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 134655874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).