(8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane

C14H18FNO2 — CID 175704211

IUPAC(8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane
SMILESFc1ccccc1[C@H]1CCC2(CCN1)OCCO2
InChIInChI=1S/C14H18FNO2/c15-12-4-2-1-3-11(12)13-5-6-14(7-8-16-13)17-9-10-18-14/h1-4,13,16H,5-10H2/t13-/m1/s1
InChIKeyPIXWVPXQTZRVAY-CYBMUJFWSA-N
MW251.30 g/mol
LogP2.38
Rot. Bonds1

About (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane

(8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane (PubChem CID 175704211) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane.

Molecular Properties

Compound Name(8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane
PubChem CID175704211
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane
SMILESFc1ccccc1[C@H]1CCC2(CCN1)OCCO2
InChIInChI=1S/C14H18FNO2/c15-12-4-2-1-3-11(12)13-5-6-14(7-8-16-13)17-9-10-18-14/h1-4,13,16H,5-10H2/t13-/m1/s1
InChIKeyPIXWVPXQTZRVAY-CYBMUJFWSA-N
XLogP2.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane?
The IUPAC name of (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane (CID 175704211) is (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane.
What is the SMILES notation for (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane?
The canonical SMILES for (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane is Fc1ccccc1[C@H]1CCC2(CCN1)OCCO2.
What is the InChIKey of (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane?
The InChIKey is PIXWVPXQTZRVAY-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-12-4-2-1-3-11(12)13-5-6-14(7-8-16-13)17-9-10-18-14/h1-4,13,16H,5-10H2/t13-/m1/s1.
What are the key properties of (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane?
(8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane has a molecular weight of 251.30 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-8-(2-fluorophenyl)-1,4-dioxa-9-azaspiro[4.6]undecane is sourced from PubChem (CID 175704211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).