2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline

C15H19F2NO2 — CID 79905124

IUPAC2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
SMILESNc1cc(F)c(OC2CCOC3(CCCC3)C2)cc1F
InChIInChI=1S/C15H19F2NO2/c16-11-8-14(12(17)7-13(11)18)20-10-3-6-19-15(9-10)4-1-2-5-15/h7-8,10H,1-6,9,18H2
InChIKeyHKAZLAZRZLKRFL-UHFFFAOYSA-N
MW283.32 g/mol
LogP3.42
Rot. Bonds2

About 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline

2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline (PubChem CID 79905124) has the molecular formula C15H19F2NO2 and a molecular weight of 283.32 g/mol. Its IUPAC name is 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline.

Molecular Properties

Compound Name2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
PubChem CID79905124
Molecular FormulaC15H19F2NO2
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline
SMILESNc1cc(F)c(OC2CCOC3(CCCC3)C2)cc1F
InChIInChI=1S/C15H19F2NO2/c16-11-8-14(12(17)7-13(11)18)20-10-3-6-19-15(9-10)4-1-2-5-15/h7-8,10H,1-6,9,18H2
InChIKeyHKAZLAZRZLKRFL-UHFFFAOYSA-N
XLogP3.42
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

9-(2-fluoro-5-methylphenoxy)-6-oxaspiro[4.5]decane
CID 79923322
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-5-fluoro-2-methylaniline
CID 114415938
3-fluoro-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 104831304
2,5-dimethyl-4-(5-oxaspiro[3.5]nonan-8-yloxy)aniline
CID 79904915
4-methoxy-2-(6-oxaspiro[4.5]decan-9-yloxy)aniline
CID 102702521
5-methoxy-2-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79898658
4-N,4-N-dimethyl-2-(6-oxaspiro[4.5]decan-9-yloxy)benzene-1,4-diamine
CID 79898940
2-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-4-fluoroaniline
CID 79904764
4-(1-oxaspiro[5.5]undecan-4-yloxy)aniline
CID 79904831
3-(6-oxaspiro[4.5]decan-9-yloxy)pyridin-2-amine
CID 79904908
8-(5-fluoro-2-methylphenoxy)-5-oxaspiro[3.5]nonane
CID 102990531
5-bromo-4-fluoro-2-(6-oxa-2-thiaspiro[4.5]decan-9-yloxy)aniline
CID 103482994

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The IUPAC name of 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline (CID 79905124) is 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline.
What is the SMILES notation for 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The canonical SMILES for 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline is Nc1cc(F)c(OC2CCOC3(CCCC3)C2)cc1F.
What is the InChIKey of 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
The InChIKey is HKAZLAZRZLKRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO2/c16-11-8-14(12(17)7-13(11)18)20-10-3-6-19-15(9-10)4-1-2-5-15/h7-8,10H,1-6,9,18H2.
What are the key properties of 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline?
2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline has a molecular weight of 283.32 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-4-(6-oxaspiro[4.5]decan-9-yloxy)aniline is sourced from PubChem (CID 79905124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).