4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde

C15H17FO3 — CID 11715903

IUPAC4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde
SMILESO=Cc1ccc(C2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C15H17FO3/c16-14-9-12(1-2-13(14)10-17)11-3-5-15(6-4-11)18-7-8-19-15/h1-2,9-11H,3-8H2
InChIKeyIQUGMQQVQCGASX-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.04
Rot. Bonds2

About 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde

4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde (PubChem CID 11715903) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde.

Molecular Properties

Compound Name4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde
PubChem CID11715903
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Name4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde
SMILESO=Cc1ccc(C2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C15H17FO3/c16-14-9-12(1-2-13(14)10-17)11-3-5-15(6-4-11)18-7-8-19-15/h1-2,9-11H,3-8H2
InChIKeyIQUGMQQVQCGASX-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.04
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

8-Phenyl-1,4-dioxaspiro[4.5]decane-8-carbaldehyde
CID 12230275
7-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 66859400
(10R)-10-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 11427786
8-[4-(Trifluoromethyl)phenyl]-1,4-dioxaspiro[4.5]decan-7-one
CID 135086929
3-[4-(2-Methyl-1,3-dioxolan-2-yl)butyl]benzaldehyde
CID 85571030
2-[(7R)-1,4-dioxaspiro[4.5]decan-7-yl]-2-phenylacetaldehyde
CID 56954480
3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-1-phenylbutan-1-one
CID 172377891
3-(1,3-Dioxolan-2-yl)-1-(4-fluorophenyl)propan-1-one
CID 2758696
3-(1,3-Dioxolan-2-yl)-1-(4-(trifluoromethyl)phenyl)propan-1-one
CID 2758708
(11s)-11-{[(4r)-2,2-Dimethyl-1,3-dioxolan-4-yl]methyl}-8-fluoro-5,11-dihydro-10h-dibenzo[a,d]cyclohepten-10-one
CID 11530211
1-(4-Fluorophenyl)-3-(2-propyl-1,3-dioxolan-2-yl)propan-1-one
CID 18683583
10-[(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl]-6-fluorotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-9-one
CID 22247223

Frequently Asked Questions

What is the IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde?
The IUPAC name of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde (CID 11715903) is 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde.
What is the SMILES notation for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde?
The canonical SMILES for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde is O=Cc1ccc(C2CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde?
The InChIKey is IQUGMQQVQCGASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO3/c16-14-9-12(1-2-13(14)10-17)11-3-5-15(6-4-11)18-7-8-19-15/h1-2,9-11H,3-8H2.
What are the key properties of 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde?
4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde has a molecular weight of 264.30 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluorobenzaldehyde is sourced from PubChem (CID 11715903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).