8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C14H17F2NO2 — CID 59805850

IUPAC8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-11(9-13(12)16)10-17-5-3-14(4-6-17)18-7-8-19-14/h1-2,9H,3-8,10H2
InChIKeyFYECAYVJLMAJAR-UHFFFAOYSA-N
MW269.29 g/mol
LogP2.30
Rot. Bonds2

About 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 59805850) has the molecular formula C14H17F2NO2 and a molecular weight of 269.29 g/mol. Its IUPAC name is 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID59805850
Molecular FormulaC14H17F2NO2
Molecular Weight269.29 g/mol
Exact Mass269.12
IUPAC Name8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESFc1ccc(CN2CCC3(CC2)OCCO3)cc1F
InChIInChI=1S/C14H17F2NO2/c15-12-2-1-11(9-13(12)16)10-17-5-3-14(4-6-17)18-7-8-19-14/h1-2,9H,3-8,10H2
InChIKeyFYECAYVJLMAJAR-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

8-[(3-bromo-4-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 60523654
8-[(4-chloro-3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 113345091
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
(3-chloro-5-fluorophenyl)-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]methanone
CID 24724477
8-[[5-(2,5-difluorophenyl)-3-pyridinyl]methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 46044536
1-[(3,4-difluorophenyl)methyl]-4-(hydroxymethyl)azepan-4-ol
CID 56886709
1-[(3,4-difluorophenyl)methyl]-4-(furan-2-ylmethyl)piperazine
CID 3650083
4-[6-[4-[(3,4-difluorophenyl)methyl]piperazin-1-yl]pyridazin-3-yl]morpholine
CID 154580855
[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 34227959
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-[(3-fluoro-4-methylphenyl)methyl]acetamide
CID 35427313
1-[(3,4-difluorophenyl)methyl]-3-methylpiperidin-3-ol
CID 115873594
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208

Frequently Asked Questions

What is the IUPAC name of 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 59805850) is 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Fc1ccc(CN2CCC3(CC2)OCCO3)cc1F.
What is the InChIKey of 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is FYECAYVJLMAJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO2/c15-12-2-1-11(9-13(12)16)10-17-5-3-14(4-6-17)18-7-8-19-14/h1-2,9H,3-8,10H2.
What are the key properties of 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-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 8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 59805850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).