1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

C18H19F3N2O — CID 70874317

IUPAC1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1
InChIInChI=1S/C18H19F3N2O/c19-13-3-1-2-12-15-9-22-10-23(15)14(17(12)13)8-16(24)11-4-6-18(20,21)7-5-11/h1-3,9-11,14,16,24H,4-8H2
InChIKeyFPKRCRNJVIHTNG-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.17
Rot. Bonds3

About 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol

1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (PubChem CID 70874317) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
PubChem CID70874317
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol
SMILESOC(CC1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1
InChIInChI=1S/C18H19F3N2O/c19-13-3-1-2-12-15-9-22-10-23(15)14(17(12)13)8-16(24)11-4-6-18(20,21)7-5-11/h1-3,9-11,14,16,24H,4-8H2
InChIKeyFPKRCRNJVIHTNG-UHFFFAOYSA-N
XLogP4.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol (CID 70874317) is 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is OC(CC1c2c(F)cccc2-c2cncn21)C1CCC(F)(F)CC1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
The InChIKey is FPKRCRNJVIHTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-13-3-1-2-12-15-9-22-10-23(15)14(17(12)13)8-16(24)11-4-6-18(20,21)7-5-11/h1-3,9-11,14,16,24H,4-8H2.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol has a molecular weight of 336.36 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethanol is sourced from PubChem (CID 70874317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).