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

C18H17F3N2O — CID 123168407

IUPAC2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
SMILESO=CC(c1c2c(c3cncn13)=CC=CC2F)C1CCC(F)(F)CC1
InChIInChI=1S/C18H17F3N2O/c19-14-3-1-2-12-15-8-22-10-23(15)17(16(12)14)13(9-24)11-4-6-18(20,21)7-5-11/h1-3,8-11,13-14H,4-7H2
InChIKeyRHWYELZGPXLHST-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.52
Rot. Bonds3

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

2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde (PubChem CID 123168407) has the molecular formula C18H17F3N2O and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
PubChem CID123168407
Molecular FormulaC18H17F3N2O
Molecular Weight334.34 g/mol
Exact Mass334.13
IUPAC Name2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
SMILESO=CC(c1c2c(c3cncn13)=CC=CC2F)C1CCC(F)(F)CC1
InChIInChI=1S/C18H17F3N2O/c19-14-3-1-2-12-15-8-22-10-23(15)17(16(12)14)13(9-24)11-4-6-18(20,21)7-5-11/h1-3,8-11,13-14H,4-7H2
InChIKeyRHWYELZGPXLHST-UHFFFAOYSA-N
XLogP3.52
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-methylidenecyclohexyl)ethanol
CID 123242255
2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-(4-propan-2-ylidenecyclohexyl)ethanol
CID 123251202
2-cyclohexyl-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde
CID 123260969
4-[2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)-2-hydroxyethyl]cyclohexan-1-one
CID 123607424
2-(4,4-difluorocyclohexyl)-2-(6H-imidazo[1,5-b]isoindol-5-yl)ethanol
CID 123708692
1-(4,4-difluorocyclohexyl)-2-(7-methyl-6-phenyl-5H-pyrrolo[1,2-c]imidazol-5-yl)ethanone
CID 130330836
2-(6-fluoro-8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)-1-[2-[(1E,3E)-4-fluorohexa-1,3,5-trienyl]spiro[3.5]nonan-7-yl]ethanone
CID 142284538
[4-Fluoro-4-[2-(4,6,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),2,4,9-tetraen-7-yl)ethyl]cyclohexyl]-piperidin-1-ylmethanone
CID 142610968
[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]-piperidin-1-ylmethanone
CID 142610972
2-[4-fluoro-4-[2-[6-[(E)-1-fluoroprop-1-enyl]-7-methyl-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
CID 142610977
2-[4-fluoro-4-[2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]ethyl]cyclohexyl]acetamide
CID 142610992
2-[4-[2-(8,9-dihydro-5H-imidazo[5,1-a]isoindol-5-yl)ethyl]-4-fluorocyclohexyl]acetamide
CID 142610997

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde (CID 123168407) is 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde is O=CC(c1c2c(c3cncn13)=CC=CC2F)C1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
The InChIKey is RHWYELZGPXLHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O/c19-14-3-1-2-12-15-8-22-10-23(15)17(16(12)14)13(9-24)11-4-6-18(20,21)7-5-11/h1-3,8-11,13-14H,4-7H2.
What are the key properties of 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde?
2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde has a molecular weight of 334.34 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-2-(6-fluoro-6H-imidazo[1,5-b]isoindol-5-yl)acetaldehyde is sourced from PubChem (CID 123168407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).