2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid

C9H6F3IO4 — CID 170998296

IUPAC2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(O)c1cccc(OC(F)(F)F)c1I
InChIInChI=1S/C9H6F3IO4/c10-9(11,12)17-5-3-1-2-4(6(5)13)7(14)8(15)16/h1-3,7,14H,(H,15,16)
InChIKeySEJYAAURTLRNRM-UHFFFAOYSA-N
MW362.04 g/mol
LogP2.31
Rot. Bonds3

About 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid

2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 170998296) has the molecular formula C9H6F3IO4 and a molecular weight of 362.04 g/mol. Its IUPAC name is 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
PubChem CID170998296
Molecular FormulaC9H6F3IO4
Molecular Weight362.04 g/mol
Exact Mass361.93
IUPAC Name2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)C(O)c1cccc(OC(F)(F)F)c1I
InChIInChI=1S/C9H6F3IO4/c10-9(11,12)17-5-3-1-2-4(6(5)13)7(14)8(15)16/h1-3,7,14H,(H,15,16)
InChIKeySEJYAAURTLRNRM-UHFFFAOYSA-N
XLogP2.31
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.04
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-amino-2-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 134624036
2-[2-(2-cyanoethyl)-3-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 118813848
2-[2-(2-bromopropanoyl)-6-(trifluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 135741003
4-hydroxy-2,3-dimethyl-4-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 79413515
2-methyl-3-[2-(trifluoromethoxy)phenyl]butanoic acid
CID 81008606
(2R)-2-hydroxy-2-[3-(trifluoromethoxy)phenyl]acetic acid
CID 96874577
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
phenyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62789776
S-[2-(trifluoromethoxy)phenyl] ethanethioate
CID 125471117
(2-iodophenyl)-[2-(trifluoromethoxy)phenyl]methanol
CID 115792609
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2-[2-amino-3-(trifluoromethoxy)phenyl]butanoic acid
CID 106988052

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid (CID 170998296) is 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid is O=C(O)C(O)c1cccc(OC(F)(F)F)c1I.
What is the InChIKey of 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is SEJYAAURTLRNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3IO4/c10-9(11,12)17-5-3-1-2-4(6(5)13)7(14)8(15)16/h1-3,7,14H,(H,15,16).
What are the key properties of 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid?
2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 362.04 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-[2-iodo-3-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 170998296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).