(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid

C8H6F2INO2 — CID 130605598

IUPAC(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1c(F)cc(I)cc1F
InChIInChI=1S/C8H6F2INO2/c9-4-1-3(11)2-5(10)6(4)7(12)8(13)14/h1-2,7H,12H2,(H,13,14)/t7-/m1/s1
InChIKeyOBHHKRCTVGKDLM-SSDOTTSWSA-N
MW313.04 g/mol
LogP1.65
Rot. Bonds2

About (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid

(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid (PubChem CID 130605598) has the molecular formula C8H6F2INO2 and a molecular weight of 313.04 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
PubChem CID130605598
Molecular FormulaC8H6F2INO2
Molecular Weight313.04 g/mol
Exact Mass312.94
IUPAC Name(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1c(F)cc(I)cc1F
InChIInChI=1S/C8H6F2INO2/c9-4-1-3(11)2-5(10)6(4)7(12)8(13)14/h1-2,7H,12H2,(H,13,14)/t7-/m1/s1
InChIKeyOBHHKRCTVGKDLM-SSDOTTSWSA-N
XLogP1.65
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.04
LogP ≤ 51.65
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

(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)ethanol
CID 66515682
2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
CID 117324730
2-amino-2-(3-bromo-2,5,6-trifluorophenyl)acetic acid
CID 117115132
(2S)-2-amino-2-(5-bromo-2,3-difluoro-6-hydroxyphenyl)acetic acid
CID 66513152
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522
(2R)-2-amino-2-(3,5-difluoro-4-hydroxyphenyl)acetic acid
CID 130647675
(2R)-2-amino-2-(2-fluoro-6-methylphenyl)acetic acid
CID 130997783
(2S)-2-amino-2-(2,3,5,6-tetrafluoro-4-hydroxyphenyl)acetic acid
CID 66513035
2-amino-2-(8-fluoro-7-hydroxy-3,4-dihydro-2H-1,5-benzodioxepin-6-yl)acetic acid
CID 117395790
2-amino-2-[2-(dimethylamino)-3,6-difluorophenyl]acetic acid
CID 117115111
(2S)-2-amino-2-(6-fluoro-2-hydroxy-3-methylphenyl)acetic acid
CID 66510686

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid (CID 130605598) is (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid is N[C@@H](C(=O)O)c1c(F)cc(I)cc1F.
What is the InChIKey of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid?
The InChIKey is OBHHKRCTVGKDLM-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H6F2INO2/c9-4-1-3(11)2-5(10)6(4)7(12)8(13)14/h1-2,7H,12H2,(H,13,14)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid?
(2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid has a molecular weight of 313.04 g/mol, XLogP of 1.65, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,6-difluoro-4-iodophenyl)acetic acid is sourced from PubChem (CID 130605598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).