2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine

C12H19F4NO — CID 106292201

IUPAC2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C12H19F4NO/c13-10(14)12(15,16)8-17-7-9-3-6-11(18-9)4-1-2-5-11/h9-10,17H,1-8H2
InChIKeyBKUDRSPMIBUVKM-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.97
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (PubChem CID 106292201) has the molecular formula C12H19F4NO and a molecular weight of 269.28 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
PubChem CID106292201
Molecular FormulaC12H19F4NO
Molecular Weight269.28 g/mol
Exact Mass269.14
IUPAC Name2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCC2(CCCC2)O1
InChIInChI=1S/C12H19F4NO/c13-10(14)12(15,16)8-17-7-9-3-6-11(18-9)4-1-2-5-11/h9-10,17H,1-8H2
InChIKeyBKUDRSPMIBUVKM-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174801
4,4,4-trifluoro-1-(2-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 80175005
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]propan-1-amine
CID 102722996
N-[[1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentyl]methyl]ethanamine
CID 102722997
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine (CID 106292201) is 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine is FC(F)C(F)(F)CNCC1CCC2(CCCC2)O1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
The InChIKey is BKUDRSPMIBUVKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F4NO/c13-10(14)12(15,16)8-17-7-9-3-6-11(18-9)4-1-2-5-11/h9-10,17H,1-8H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine has a molecular weight of 269.28 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106292201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).