2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde

C17H21FO2 — CID 72712995

IUPAC2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde
SMILESO=CC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H21FO2/c18-15-5-3-14(4-6-15)16(9-11-19)10-12-20-17(13-16)7-1-2-8-17/h3-6,11H,1-2,7-10,12-13H2/t16-/m1/s1
InChIKeyAEYYCMAFSGWGNY-MRXNPFEDSA-N
MW276.35 g/mol
LogP3.78
Rot. Bonds3

About 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde

2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde (PubChem CID 72712995) has the molecular formula C17H21FO2 and a molecular weight of 276.35 g/mol. Its IUPAC name is 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde
PubChem CID72712995
Molecular FormulaC17H21FO2
Molecular Weight276.35 g/mol
Exact Mass276.15
IUPAC Name2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde
SMILESO=CC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1
InChIInChI=1S/C17H21FO2/c18-15-5-3-14(4-6-15)16(9-11-19)10-12-20-17(13-16)7-1-2-8-17/h3-6,11H,1-2,7-10,12-13H2/t16-/m1/s1
InChIKeyAEYYCMAFSGWGNY-MRXNPFEDSA-N
XLogP3.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.35
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde?
The IUPAC name of 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde (CID 72712995) is 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde.
What is the SMILES notation for 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde?
The canonical SMILES for 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde is O=CC[C@@]1(c2ccc(F)cc2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde?
The InChIKey is AEYYCMAFSGWGNY-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21FO2/c18-15-5-3-14(4-6-15)16(9-11-19)10-12-20-17(13-16)7-1-2-8-17/h3-6,11H,1-2,7-10,12-13H2/t16-/m1/s1.
What are the key properties of 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde?
2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde has a molecular weight of 276.35 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]acetaldehyde is sourced from PubChem (CID 72712995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).