2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde

C7H9FO2 — CID 88891169

IUPAC2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde
SMILESO=CC(F)[C@H]1CC[C@@H]2O[C@@H]21
InChIInChI=1S/C7H9FO2/c8-5(3-9)4-1-2-6-7(4)10-6/h3-7H,1-2H2/t4-,5?,6+,7-/m1/s1
InChIKeyXVZRBIQSIOQHIR-ZFGFBIEISA-N
MW144.15 g/mol
LogP0.70
Rot. Bonds2

About 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde

2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde (PubChem CID 88891169) has the molecular formula C7H9FO2 and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde.

Molecular Properties

Compound Name2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde
PubChem CID88891169
Molecular FormulaC7H9FO2
Molecular Weight144.15 g/mol
Exact Mass144.06
IUPAC Name2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde
SMILESO=CC(F)[C@H]1CC[C@@H]2O[C@@H]21
InChIInChI=1S/C7H9FO2/c8-5(3-9)4-1-2-6-7(4)10-6/h3-7H,1-2H2/t4-,5?,6+,7-/m1/s1
InChIKeyXVZRBIQSIOQHIR-ZFGFBIEISA-N
XLogP0.70
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]propanoic acid
CID 57371256
1-(6-oxabicyclo[3.1.0]hexan-2-yl)prop-2-en-1-ol;5-oxabicyclo[2.1.0]pent-2-ene
CID 88788047
3,8-dioxatricyclo[3.2.1.02,4]octane
CID 15647432
(1R,2R,5S)-2-deuterio-6-oxabicyclo[3.1.0]hexan-2-ol
CID 131873297
(1S,4S)-5-oxabicyclo[2.1.0]pentane
CID 98125749
1-(7-oxabicyclo[4.1.0]heptan-2-yl)butan-1-ol
CID 174799868
[(1R,2S,5R)-6-oxabicyclo[3.1.0]hexan-2-yl] acetate
CID 100941844
2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde
CID 105435536
(1S,6S)-2-(2-methylpropyl)-7-oxabicyclo[4.1.0]heptane
CID 10630730
(4R,7R)-2-(dimethylamino)-8-oxabicyclo[5.1.0]octan-4-ol
CID 90321400
(1R,4S)-3-formyl-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 88911426
2,7-dioxatricyclo[4.4.0.03,8]decan-4-ol
CID 130124205

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde?
The IUPAC name of 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde (CID 88891169) is 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde.
What is the SMILES notation for 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde?
The canonical SMILES for 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde is O=CC(F)[C@H]1CC[C@@H]2O[C@@H]21.
What is the InChIKey of 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde?
The InChIKey is XVZRBIQSIOQHIR-ZFGFBIEISA-N. The full InChI is InChI=1S/C7H9FO2/c8-5(3-9)4-1-2-6-7(4)10-6/h3-7H,1-2H2/t4-,5?,6+,7-/m1/s1.
What are the key properties of 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde?
2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde has a molecular weight of 144.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]acetaldehyde is sourced from PubChem (CID 88891169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).