8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H18FNO2 — CID 6464317

IUPAC8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)11-16-7-5-14(6-8-16)17-9-10-18-14/h1-4H,5-11H2
InChIKeyREMAIRVHIHRKSV-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.16
Rot. Bonds2

About 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 6464317) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID6464317
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccccc1CN1CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)11-16-7-5-14(6-8-16)17-9-10-18-14/h1-4H,5-11H2
InChIKeyREMAIRVHIHRKSV-UHFFFAOYSA-N
XLogP2.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 6464317) is 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccccc1CN1CCC2(CC1)OCCO2.
What is the InChIKey of 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is REMAIRVHIHRKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-13-4-2-1-3-12(13)11-16-7-5-14(6-8-16)17-9-10-18-14/h1-4H,5-11H2.
What are the key properties of 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 251.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 6464317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).