N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine

C14H24F3NO — CID 115519107

IUPACN-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)8-3-4-9-18-12-5-10-19-13(11-12)6-1-2-7-13/h12,18H,1-11H2
InChIKeyFASOFAHHCFVQLT-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.80
Rot. Bonds5

About N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine

N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 115519107) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID115519107
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)(F)CCCCNC1CCOC2(CCCC2)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)8-3-4-9-18-12-5-10-19-13(11-12)6-1-2-7-13/h12,18H,1-11H2
InChIKeyFASOFAHHCFVQLT-UHFFFAOYSA-N
XLogP3.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 114187750
N-butyl-1-oxaspiro[5.5]undecan-4-amine
CID 79897622
N-(3,3,3-trifluoropropyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79903035
N-[2-(trifluoromethylsulfanyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106429672
N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
CID 106291931
N'-(5-oxaspiro[3.5]nonan-8-yl)ethane-1,2-diamine
CID 79895111
N'-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)-N'-propan-2-ylbutane-1,4-diamine
CID 79899327
2-ethyl-2-methyl-N-(4,4,4-trifluorobutyl)oxan-4-amine
CID 115516369
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
N-[3-(1-oxaspiro[5.5]undecan-4-ylamino)propyl]methanesulfonamide
CID 106336440
N-(3-propoxypropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 82941325
N',N'-diethyl-N-(6-oxaspiro[4.5]decan-9-yl)ethane-1,2-diamine
CID 79898315

Frequently Asked Questions

What is the IUPAC name of N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine (CID 115519107) is N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine is FC(F)(F)CCCCNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is FASOFAHHCFVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)8-3-4-9-18-12-5-10-19-13(11-12)6-1-2-7-13/h12,18H,1-11H2.
What are the key properties of N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine?
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 279.35 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 115519107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).