2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid

C10H5F6IO3 — CID 134638427

IUPAC2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(I)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H5F6IO3/c11-9(12,13)5-2-3(17)1-4(7(18)8(19)20)6(5)10(14,15)16/h1-2,7,18H,(H,19,20)
InChIKeyQRBMPDAZCOPUPY-UHFFFAOYSA-N
MW414.04 g/mol
LogP3.45
Rot. Bonds2

About 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid

2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid (PubChem CID 134638427) has the molecular formula C10H5F6IO3 and a molecular weight of 414.04 g/mol. Its IUPAC name is 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
PubChem CID134638427
Molecular FormulaC10H5F6IO3
Molecular Weight414.04 g/mol
Exact Mass413.92
IUPAC Name2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)C(O)c1cc(I)cc(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C10H5F6IO3/c11-9(12,13)5-2-3(17)1-4(7(18)8(19)20)6(5)10(14,15)16/h1-2,7,18H,(H,19,20)
InChIKeyQRBMPDAZCOPUPY-UHFFFAOYSA-N
XLogP3.45
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.04
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-[3-iodo-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134638431
2-hydroxy-2-[2-hydroxy-4,5-bis(trifluoromethyl)phenyl]acetic acid
CID 134639181
2-[4,5-dihydroxy-2-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383096
2-hydroxy-2-[3-methyl-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119023119
2-[3-bromo-4,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134655958
2-[3-amino-2,5-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 134624070
2-hydroxy-2-[2-methyl-3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 134623020
2-hydroxy-2-[3-methoxy-2,5-bis(trifluoromethyl)phenyl]acetic acid
CID 119021848
2-[2,5-bis(trifluoromethyl)-4-pyridinyl]-2-hydroxyacetic acid
CID 133094666
2-[2,3-dihydroxy-4-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 117383098
2-[2-amino-5-bromo-3-(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119005684
2-[4-chloro-2,3-bis(trifluoromethyl)phenyl]-2-hydroxyacetic acid
CID 119019485

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid (CID 134638427) is 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid is O=C(O)C(O)c1cc(I)cc(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid?
The InChIKey is QRBMPDAZCOPUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6IO3/c11-9(12,13)5-2-3(17)1-4(7(18)8(19)20)6(5)10(14,15)16/h1-2,7,18H,(H,19,20).
What are the key properties of 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid?
2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid has a molecular weight of 414.04 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[5-iodo-2,3-bis(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 134638427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).