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

C7H5F2NO2 — CID 105435356

IUPAC6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESO=Cc1noc2c1CCC2(F)F
InChIInChI=1S/C7H5F2NO2/c8-7(9)2-1-4-5(3-11)10-12-6(4)7/h3H,1-2H2
InChIKeyCAIQFBAJHLNMOU-UHFFFAOYSA-N
MW173.12 g/mol
LogP1.53
Rot. Bonds1

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

6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde (PubChem CID 105435356) has the molecular formula C7H5F2NO2 and a molecular weight of 173.12 g/mol. Its IUPAC name is 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde.

Molecular Properties

Compound Name6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
PubChem CID105435356
Molecular FormulaC7H5F2NO2
Molecular Weight173.12 g/mol
Exact Mass173.03
IUPAC Name6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde
SMILESO=Cc1noc2c1CCC2(F)F
InChIInChI=1S/C7H5F2NO2/c8-7(9)2-1-4-5(3-11)10-12-6(4)7/h3H,1-2H2
InChIKeyCAIQFBAJHLNMOU-UHFFFAOYSA-N
XLogP1.53
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.12
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
sodium 4H,5H,6H-cyclopenta(d)(1,2)oxazole-3-carboxylate
CID 145913206
6-fluoro-3-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazole
CID 89095932
1-[4-Methyl-5-(trifluoromethyl)-1,2-oxazol-3-yl]ethanone
CID 82402402
3-(Trifluoromethyl)-5,6-dihydrocyclopenta[d][1,2]oxazol-4-one
CID 83861264
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
(6-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105430602
(4-fluoro-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-yl)methanol
CID 105430603
4-Fluoro-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbaldehyde
CID 105434012

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
The IUPAC name of 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde (CID 105435356) is 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde.
What is the SMILES notation for 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
The canonical SMILES for 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde is O=Cc1noc2c1CCC2(F)F.
What is the InChIKey of 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
The InChIKey is CAIQFBAJHLNMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F2NO2/c8-7(9)2-1-4-5(3-11)10-12-6(4)7/h3H,1-2H2.
What are the key properties of 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde?
6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde has a molecular weight of 173.12 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-4,5-dihydrocyclopenta[d][1,2]oxazole-3-carbaldehyde is sourced from PubChem (CID 105435356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).