7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine

C14H17F2NO3 — CID 16782593

IUPAC7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1Oc1ccc(F)cc1F)OCCO2
InChIInChI=1S/C14H17F2NO3/c15-9-1-2-12(10(16)7-9)20-13-8-14(4-3-11(13)17)18-5-6-19-14/h1-2,7,11,13H,3-6,8,17H2
InChIKeyMRUFUPCUPKGHGH-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.97
Rot. Bonds2

About 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine

7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (PubChem CID 16782593) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine.

Molecular Properties

Compound Name7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
PubChem CID16782593
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
SMILESNC1CCC2(CC1Oc1ccc(F)cc1F)OCCO2
InChIInChI=1S/C14H17F2NO3/c15-9-1-2-12(10(16)7-9)20-13-8-14(4-3-11(13)17)18-5-6-19-14/h1-2,7,11,13H,3-6,8,17H2
InChIKeyMRUFUPCUPKGHGH-UHFFFAOYSA-N
XLogP1.97
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)cyclooctan-1-amine
CID 45253704
7-(2,3,5-trimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 43118072
7-(5-fluoro-2-methylphenoxy)-1,4-dioxaspiro[4.5]decan-8-ol
CID 102983340
7-(3,4-dimethylphenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 16794707
3-(2,5-difluorophenoxy)oxan-4-amine
CID 63268749
2-(2,4-difluorophenoxy)cyclopentan-1-ol
CID 60878215
3-(2,4-difluorophenoxy)-2,2-dimethylcyclobutan-1-amine
CID 66357142
7-(2-cyclopropylethoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 106200696
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
7-(3-methoxypropoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 54936727
6-(2,4-difluorophenoxy)-N-ethyl-2,2-dimethylcyclohexan-1-amine
CID 79837054
7-amino-1,4-dioxaspiro[4.5]decan-8-ol
CID 76655508

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The IUPAC name of 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine (CID 16782593) is 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine.
What is the SMILES notation for 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The canonical SMILES for 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine is NC1CCC2(CC1Oc1ccc(F)cc1F)OCCO2.
What is the InChIKey of 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
The InChIKey is MRUFUPCUPKGHGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-9-1-2-12(10(16)7-9)20-13-8-14(4-3-11(13)17)18-5-6-19-14/h1-2,7,11,13H,3-6,8,17H2.
What are the key properties of 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine?
7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine has a molecular weight of 285.29 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine is sourced from PubChem (CID 16782593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).