8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane

C14H17FO2 — CID 133063442

IUPAC8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1ccccc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17FO2/c15-13-4-2-1-3-12(13)11-5-7-14(8-6-11)16-9-10-17-14/h1-4,11H,5-10H2
InChIKeyCLNUJNAWGKQGED-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.23
Rot. Bonds1

About 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane

8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 133063442) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID133063442
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1ccccc1C1CCC2(CC1)OCCO2
InChIInChI=1S/C14H17FO2/c15-13-4-2-1-3-12(13)11-5-7-14(8-6-11)16-9-10-17-14/h1-4,11H,5-10H2
InChIKeyCLNUJNAWGKQGED-UHFFFAOYSA-N
XLogP3.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Phenylpropanal propylene glycol acetal
CID 236687
8-[4-(4-Methylphenyl)-3-cyclohexen-1-yl]-1,4-dioxaspiro[4.5]decane
CID 91980675
1,3-Dioxolane, 2-(1-methyl-2-(4-(1-methylethyl)phenyl)ethyl)-
CID 175216
1,4-Dioxaspiro[4.5]decane, 8-[4-(3,4-difluorophenyl)-3-cyclohexen-1-yl]-
CID 11559061
8-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 15232681
8-(4-(4-Methylphenyl)cyclohexyl)-1,4-dioxaspiro(4.5)decane
CID 101232052
2-Methyl-2-phenethyl-1,3-dioxolane
CID 11830267
7-(4-Fluorophenyl)-1,4-dioxaspiro[4.5]decan-8-one
CID 66859400
4-Methyl-2-(2-phenylpropyl)-1,3-dioxolane
CID 2828528
US20240150293, Example 64
CID 58909873
4,4-Bis(2-phenylethyl)-5-(trifluoromethyl)-1,3-dioxolane-2-thione
CID 10833632
8-[4-(2,3-Difluorophenyl)phenyl]-1,4-dioxaspiro[4.5]decane
CID 11045760

Frequently Asked Questions

What is the IUPAC name of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane (CID 133063442) is 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane is Fc1ccccc1C1CCC2(CC1)OCCO2.
What is the InChIKey of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is CLNUJNAWGKQGED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c15-13-4-2-1-3-12(13)11-5-7-14(8-6-11)16-9-10-17-14/h1-4,11H,5-10H2.
What are the key properties of 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 236.29 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 133063442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).