9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C14H17F2NO2 — CID 75500696

IUPAC9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFc1cc(F)cc(CN2CCCC3(C2)OCCO3)c1
InChIInChI=1S/C14H17F2NO2/c15-12-6-11(7-13(16)8-12)9-17-3-1-2-14(10-17)18-4-5-19-14/h6-8H,1-5,9-10H2
InChIKeyRMXUNRJUOPBAOG-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.30
Rot. Bonds2

About 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 75500696) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID75500696
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESFc1cc(F)cc(CN2CCCC3(C2)OCCO3)c1
InChIInChI=1S/C14H17F2NO2/c15-12-6-11(7-13(16)8-12)9-17-3-1-2-14(10-17)18-4-5-19-14/h6-8H,1-5,9-10H2
InChIKeyRMXUNRJUOPBAOG-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9-[(2-fluoro-4-methoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 102876803
9-[[3-(trifluoromethyl)-2-pyridinyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75506837
9-(4-phenylbutyl)-1,4-dioxa-9-azaspiro[4.5]decane
CID 114333662
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75475758
7-[(2-chloro-4-pyridinyl)methyl]-1,4-dioxa-7-azaspiro[4.4]nonane
CID 131110971
5-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)thiophene-3-carboxamide
CID 86785794
9-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,4-dioxa-9-azaspiro[4.5]decane
CID 75500687
2-[(4-fluorophenyl)methyl]-2-azaspiro[5.5]undecane
CID 91111605
2-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-6-methylpyridin-3-ol
CID 75500690
[3-fluoro-5-[(3-methoxy-3-methylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107390827
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850

Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 75500696) is 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is Fc1cc(F)cc(CN2CCCC3(C2)OCCO3)c1.
What is the InChIKey of 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is RMXUNRJUOPBAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-6-11(7-13(16)8-12)9-17-3-1-2-14(10-17)18-4-5-19-14/h6-8H,1-5,9-10H2.
What are the key properties of 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 269.29 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-difluorophenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 75500696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).