4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol

C18H19F3N2O — CID 118917109

IUPAC4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)CC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C18H19F3N2O/c19-14-3-1-2-13-16-9-22-10-23(16)15(17(13)14)8-18(20,21)11-4-6-12(24)7-5-11/h1-3,9-12,15,24H,4-8H2
InChIKeyUNSORNINUVZBRF-UHFFFAOYSA-N
MW336.36 g/mol
LogP4.17
Rot. Bonds3

About 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol

4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol (PubChem CID 118917109) has the molecular formula C18H19F3N2O and a molecular weight of 336.36 g/mol. Its IUPAC name is 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
PubChem CID118917109
Molecular FormulaC18H19F3N2O
Molecular Weight336.36 g/mol
Exact Mass336.14
IUPAC Name4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol
SMILESOC1CCC(C(F)(F)CC2c3c(F)cccc3-c3cncn32)CC1
InChIInChI=1S/C18H19F3N2O/c19-14-3-1-2-13-16-9-22-10-23(16)15(17(13)14)8-18(20,21)11-4-6-12(24)7-5-11/h1-3,9-12,15,24H,4-8H2
InChIKeyUNSORNINUVZBRF-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 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The IUPAC name of 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol (CID 118917109) is 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The canonical SMILES for 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol is OC1CCC(C(F)(F)CC2c3c(F)cccc3-c3cncn32)CC1.
What is the InChIKey of 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
The InChIKey is UNSORNINUVZBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O/c19-14-3-1-2-13-16-9-22-10-23(16)15(17(13)14)8-18(20,21)11-4-6-12(24)7-5-11/h1-3,9-12,15,24H,4-8H2.
What are the key properties of 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol?
4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol 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 4-[1,1-difluoro-2-(6-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]cyclohexan-1-ol is sourced from PubChem (CID 118917109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).