6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane

C14H17F2NO2 — CID 122139863

IUPAC6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESFc1ccc(F)c(CN2CCOCC23CCOC3)c1
InChIInChI=1S/C14H17F2NO2/c15-12-1-2-13(16)11(7-12)8-17-4-6-19-10-14(17)3-5-18-9-14/h1-2,7H,3-6,8-10H2
InChIKeyWPRVRNCBGVHDBZ-UHFFFAOYSA-N
MW269.29 g/mol
LogP1.96
Rot. Bonds2

About 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane

6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane (PubChem CID 122139863) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane.

Molecular Properties

Compound Name6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
PubChem CID122139863
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane
SMILESFc1ccc(F)c(CN2CCOCC23CCOC3)c1
InChIInChI=1S/C14H17F2NO2/c15-12-1-2-13(16)11(7-12)8-17-4-6-19-10-14(17)3-5-18-9-14/h1-2,7H,3-6,8-10H2
InChIKeyWPRVRNCBGVHDBZ-UHFFFAOYSA-N
XLogP1.96
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The IUPAC name of 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane (CID 122139863) is 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane.
What is the SMILES notation for 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The canonical SMILES for 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane is Fc1ccc(F)c(CN2CCOCC23CCOC3)c1.
What is the InChIKey of 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
The InChIKey is WPRVRNCBGVHDBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-1-2-13(16)11(7-12)8-17-4-6-19-10-14(17)3-5-18-9-14/h1-2,7H,3-6,8-10H2.
What are the key properties of 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane?
6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane has a molecular weight of 269.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,5-difluorophenyl)methyl]-2,9-dioxa-6-azaspiro[4.5]decane is sourced from PubChem (CID 122139863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).