2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid

C11H10FIO2 — CID 175669148

IUPAC2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
SMILESO=C(O)C(c1cc(I)ccc1F)C1CC1
InChIInChI=1S/C11H10FIO2/c12-9-4-3-7(13)5-8(9)10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)
InChIKeyCYWUMHYWPWZPPS-UHFFFAOYSA-N
MW320.10 g/mol
LogP3.01
Rot. Bonds3

About 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid

2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid (PubChem CID 175669148) has the molecular formula C11H10FIO2 and a molecular weight of 320.10 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
PubChem CID175669148
Molecular FormulaC11H10FIO2
Molecular Weight320.10 g/mol
Exact Mass319.97
IUPAC Name2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid
SMILESO=C(O)C(c1cc(I)ccc1F)C1CC1
InChIInChI=1S/C11H10FIO2/c12-9-4-3-7(13)5-8(9)10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15)
InChIKeyCYWUMHYWPWZPPS-UHFFFAOYSA-N
XLogP3.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.10
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-difluorophenyl)-2-(1-methylpiperidin-4-yl)acetic acid
CID 116825073
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
2-(2-bromo-4,5-difluorophenyl)-2-cyclopropylacetic acid
CID 175669167
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(2S)-2-(4-bromo-2-fluorophenyl)-2-cyclopentylacetic acid
CID 125466606
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
3-[(R)-amino(cyclopropyl)methyl]-4-fluorobenzoic acid
CID 162344495
2-(2-amino-5-chlorophenyl)-2-(4,4-dimethylcyclohexyl)acetic acid
CID 106987726
2-(2-amino-5-tert-butylphenyl)-2-cyclopropylacetic acid
CID 106987356
(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid (CID 175669148) is 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid is O=C(O)C(c1cc(I)ccc1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid?
The InChIKey is CYWUMHYWPWZPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FIO2/c12-9-4-3-7(13)5-8(9)10(11(14)15)6-1-2-6/h3-6,10H,1-2H2,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid?
2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid has a molecular weight of 320.10 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2-fluoro-5-iodophenyl)acetic acid is sourced from PubChem (CID 175669148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).