N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine

C12H19F4NO — CID 106291931

IUPACN-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)C(F)(F)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H19F4NO/c13-10(14)12(15,16)8-17-9-3-6-18-11(7-9)4-1-2-5-11/h9-10,17H,1-8H2
InChIKeyXDOZAVVJGTVUGV-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.97
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine

N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine (PubChem CID 106291931) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
PubChem CID106291931
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine
SMILESFC(F)C(F)(F)CNC1CCOC2(CCCC2)C1
InChIInChI=1S/C12H19F4NO/c13-10(14)12(15,16)8-17-9-3-6-18-11(7-9)4-1-2-5-11/h9-10,17H,1-8H2
InChIKeyXDOZAVVJGTVUGV-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,3,3-tetrafluoropropyl)-2,6-dioxaspiro[4.5]decan-9-amine
CID 114169259
2,2-difluoro-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-1-ol
CID 106176373
N-(5,5,5-trifluoropentyl)-6-oxaspiro[4.5]decan-9-amine
CID 115519107
N-[2-(trifluoromethylsulfanyl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 114187750
N-(2-methylpropyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898518
N-[2-(trifluoromethylsulfanyl)ethyl]-5-oxaspiro[3.5]nonan-8-amine
CID 106429672
4,4-dimethyl-5-(6-oxaspiro[4.5]decan-9-ylamino)pentan-1-ol
CID 106147150
N-(3-methyl-2-propan-2-ylbutyl)-1-oxaspiro[5.5]undecan-4-amine
CID 102905388
2-methyl-1-methylsulfanyl-3-(1-oxaspiro[5.5]undecan-4-ylamino)propan-2-ol
CID 106247069
N-(2-methylprop-2-enyl)-6-oxaspiro[4.5]decan-9-amine
CID 114616860
N-(2,2-dicyclopropylethyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903465
N-[(1-methylcyclopentyl)methyl]-1-oxaspiro[5.5]undecan-4-amine
CID 79903273

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine (CID 106291931) is N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine is FC(F)C(F)(F)CNC1CCOC2(CCCC2)C1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
The InChIKey is XDOZAVVJGTVUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c13-10(14)12(15,16)8-17-9-3-6-18-11(7-9)4-1-2-5-11/h9-10,17H,1-8H2.
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine?
N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine has a molecular weight of 269.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-6-oxaspiro[4.5]decan-9-amine is sourced from PubChem (CID 106291931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).