N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine

C9H13F2NO2 — CID 163294780

IUPACN-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine
SMILESON=C1CCC2(CC1)OCCC2(F)F
InChIInChI=1S/C9H13F2NO2/c10-9(11)5-6-14-8(9)3-1-7(12-13)2-4-8/h13H,1-6H2/b12-7-
InChIKeyNHIXKNZILQUQLK-GHXNOFRVSA-N
MW205.20 g/mol
LogP2.18
Rot. Bonds

About N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine

N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine (PubChem CID 163294780) has the molecular formula C9H13F2NO2 and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine.

Molecular Properties

Compound NameN-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine
PubChem CID163294780
Molecular FormulaC9H13F2NO2
Molecular Weight205.20 g/mol
Exact Mass205.09
IUPAC NameN-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine
SMILESON=C1CCC2(CC1)OCCC2(F)F
InChIInChI=1S/C9H13F2NO2/c10-9(11)5-6-14-8(9)3-1-7(12-13)2-4-8/h13H,1-6H2/b12-7-
InChIKeyNHIXKNZILQUQLK-GHXNOFRVSA-N
XLogP2.18
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The IUPAC name of N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine (CID 163294780) is N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine.
What is the SMILES notation for N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The canonical SMILES for N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine is ON=C1CCC2(CC1)OCCC2(F)F.
What is the InChIKey of N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine?
The InChIKey is NHIXKNZILQUQLK-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H13F2NO2/c10-9(11)5-6-14-8(9)3-1-7(12-13)2-4-8/h13H,1-6H2/b12-7-.
What are the key properties of N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine?
N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine has a molecular weight of 205.20 g/mol, XLogP of 2.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluoro-1-oxaspiro[4.5]decan-8-ylidene)hydroxylamine is sourced from PubChem (CID 163294780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).