4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde

C8H8FNO2 — CID 105434013

IUPAC4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESCC1(F)CCc2onc(C=O)c21
InChIInChI=1S/C8H8FNO2/c1-8(9)3-2-6-7(8)5(4-11)10-12-6/h4H,2-3H2,1H3
InChIKeyBMMFRLBVLUEJQI-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.62
Rot. Bonds1

About 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde

4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde (PubChem CID 105434013) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
PubChem CID105434013
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESCC1(F)CCc2onc(C=O)c21
InChIInChI=1S/C8H8FNO2/c1-8(9)3-2-6-7(8)5(4-11)10-12-6/h4H,2-3H2,1H3
InChIKeyBMMFRLBVLUEJQI-UHFFFAOYSA-N
XLogP1.62
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.62
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

4,5,6,7-Tetrahydro-1,2-benzoxazole-3-carbaldehyde
CID 14880804
4H,5H,6H,7H,8H-cyclohepta[d][1,2]oxazole-3-carbaldehyde
CID 83863035
4H,5H,6H-cyclopenta(d)(1,2)oxazole-3-carbaldehyde
CID 28808650
6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105430202
4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105430204
4-Fluoro-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde
CID 105434012
1-(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)ethanone
CID 105434014
(4-Fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanamine
CID 105434424
(4-Fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105434687
6,6-Difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105435356
4,4-Difluoro-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
CID 105435357

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
The IUPAC name of 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde (CID 105434013) is 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde.
What is the SMILES notation for 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
The canonical SMILES for 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde is CC1(F)CCc2onc(C=O)c21.
What is the InChIKey of 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
The InChIKey is BMMFRLBVLUEJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-8(9)3-2-6-7(8)5(4-11)10-12-6/h4H,2-3H2,1H3.
What are the key properties of 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde has a molecular weight of 169.16 g/mol, XLogP of 1.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-5,6-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde is sourced from PubChem (CID 105434013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).