4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid

C19H20F2N2O2 — CID 118916992

IUPAC4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C19H20F2N2O2/c20-14-3-1-2-13-16-10-22-11-23(16)15(17(13)14)6-9-19(21)7-4-12(5-8-19)18(24)25/h1-3,10-12,15H,4-9H2,(H,24,25)
InChIKeyCGPONVVIYDIYOE-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.36
Rot. Bonds4

About 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid

4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid (PubChem CID 118916992) has the molecular formula C19H20F2N2O2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid
PubChem CID118916992
Molecular FormulaC19H20F2N2O2
Molecular Weight346.38 g/mol
Exact Mass346.15
IUPAC Name4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C19H20F2N2O2/c20-14-3-1-2-13-16-10-22-11-23(16)15(17(13)14)6-9-19(21)7-4-12(5-8-19)18(24)25/h1-3,10-12,15H,4-9H2,(H,24,25)
InChIKeyCGPONVVIYDIYOE-UHFFFAOYSA-N
XLogP4.36
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid (CID 118916992) is 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(F)(CCC2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
The InChIKey is CGPONVVIYDIYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2/c20-14-3-1-2-13-16-10-22-11-23(16)15(17(13)14)6-9-19(21)7-4-12(5-8-19)18(24)25/h1-3,10-12,15H,4-9H2,(H,24,25).
What are the key properties of 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid?
4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid has a molecular weight of 346.38 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-[2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 118916992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).