2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

C10H5ClF6O3 — CID 119019485

IUPAC2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H5ClF6O3/c11-4-2-1-3(7(18)8(19)20)5(9(12,13)14)6(4)10(15,16)17/h1-2,7,18H,(H,19,20)
InChIKeyWOPZLLOFQGGJQN-UHFFFAOYSA-N
MW322.59 g/mol
LogP3.50
Rot. Bonds2

About 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid

2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (PubChem CID 119019485) has the molecular formula C10H5ClF6O3 and a molecular weight of 322.59 g/mol. Its IUPAC name is 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
PubChem CID119019485
Molecular FormulaC10H5ClF6O3
Molecular Weight322.59 g/mol
Exact Mass321.98
IUPAC Name2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1ccc(Cl)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H5ClF6O3/c11-4-2-1-3(7(18)8(19)20)5(9(12,13)14)6(4)10(15,16)17/h1-2,7,18H,(H,19,20)
InChIKeyWOPZLLOFQGGJQN-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-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655874
2-[2-chloro-5-[4-(trifluoromethyl)phenyl]phenyl]-2-hydroxyacetic acid
CID 118813097
2-[3-bromo-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 131307202
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-[2-amino-4-chloro-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 119017776
2-(2-bromo-4-chloro-3-fluorophenyl)-2-hydroxyacetic acid
CID 117455834
2-(2-chlorophenyl)-2-hydroxyacetic acid;copper
CID 174872808
(2S)-2-(2,4-dichloro-3-methylphenyl)-2-hydroxyacetic acid
CID 125129497
2-(5-chloro-2,3-dihydro-1,4-benzodioxin-8-yl)-2-hydroxyacetic acid
CID 117363550
2-(2,3-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 119001488
(2S)-2-[2,4-dichloro-3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 125129554
2-[2,3-dihydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383098

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid (CID 119019485) is 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is O=C(O)C(O)c1ccc(Cl)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
The InChIKey is WOPZLLOFQGGJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF6O3/c11-4-2-1-3(7(18)8(19)20)5(9(12,13)14)6(4)10(15,16)17/h1-2,7,18H,(H,19,20).
What are the key properties of 2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid?
2-[4-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-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid is sourced from PubChem (CID 119019485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).