8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane

C14H16ClFO2 — CID 67057702

IUPAC8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(C2CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C14H16ClFO2/c15-12-9-11(1-2-13(12)16)10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10H,3-8H2
InChIKeyIQXIARHRRVOEDG-UHFFFAOYSA-N
MW270.73 g/mol
LogP3.88
Rot. Bonds1

About 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane

8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 67057702) has the molecular formula C14H16ClFO2 and a molecular weight of 270.73 g/mol. Its IUPAC name is 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
PubChem CID67057702
Molecular FormulaC14H16ClFO2
Molecular Weight270.73 g/mol
Exact Mass270.08
IUPAC Name8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane
SMILESFc1ccc(C2CCC3(CC2)OCCO3)cc1Cl
InChIInChI=1S/C14H16ClFO2/c15-12-9-11(1-2-13(12)16)10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10H,3-8H2
InChIKeyIQXIARHRRVOEDG-UHFFFAOYSA-N
XLogP3.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.73
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane (CID 67057702) is 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane is Fc1ccc(C2CCC3(CC2)OCCO3)cc1Cl.
What is the InChIKey of 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is IQXIARHRRVOEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClFO2/c15-12-9-11(1-2-13(12)16)10-3-5-14(6-4-10)17-7-8-18-14/h1-2,9-10H,3-8H2.
What are the key properties of 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane?
8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 270.73 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-chloro-4-fluorophenyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 67057702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).