5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde

C8H9FO3 — CID 22951533

IUPAC5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
SMILESO=CC1C(F)CC2OC(=O)CC21
InChIInChI=1S/C8H9FO3/c9-6-2-7-4(5(6)3-10)1-8(11)12-7/h3-7H,1-2H2
InChIKeyHZUNIGHJDMSUSB-UHFFFAOYSA-N
MW172.15 g/mol
LogP0.47
Rot. Bonds1

About 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde

5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde (PubChem CID 22951533) has the molecular formula C8H9FO3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde.

Molecular Properties

Compound Name5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
PubChem CID22951533
Molecular FormulaC8H9FO3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
SMILESO=CC1C(F)CC2OC(=O)CC21
InChIInChI=1S/C8H9FO3/c9-6-2-7-4(5(6)3-10)1-8(11)12-7/h3-7H,1-2H2
InChIKeyHZUNIGHJDMSUSB-UHFFFAOYSA-N
XLogP0.47
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde with MolForge

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Launch Full Analysis

Related Compounds

(3aR,4R,5R,6aS)-4-Fluoromethyl-hexahydro-5-methoxy-2H-cyclopentafuran-2-one
CID 25020820
(3aR,4S,5S,6aS)-5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 55296418
(3aR,4R,5R,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59065315
(3aR,4R,5S,6aS)-4-ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 59956908
2-[(3aR,4S,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-yl]acetaldehyde
CID 11400998
4-Ethyl-5-fluoro-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-2-one
CID 22951154
(3aR,4R,6aS)-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 12884325
2-Oxohexahydro-2H-cyclopenta[B]furan-4-carbaldehyde
CID 12884326
(1S,5R,6S)-6-formyl-2-oxabicyclo[3,3,0]octan-3-one
CID 12884327
5-Methyl-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde
CID 13245338
2-oxo-3a,4,5,6-tetrahydro-3H-cyclopenta[b]furan-6a-carbaldehyde
CID 20484795
(1S,5R,6S,7R)-6-Formyl-7-methyl-2-oxabicyclo[3,3,0]octan-3-one
CID 22805158

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The IUPAC name of 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde (CID 22951533) is 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde.
What is the SMILES notation for 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The canonical SMILES for 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde is O=CC1C(F)CC2OC(=O)CC21.
What is the InChIKey of 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
The InChIKey is HZUNIGHJDMSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3/c9-6-2-7-4(5(6)3-10)1-8(11)12-7/h3-7H,1-2H2.
What are the key properties of 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde?
5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde has a molecular weight of 172.15 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]furan-4-carbaldehyde is sourced from PubChem (CID 22951533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).