2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

C13H21F4NO — CID 106292007

IUPAC2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H21F4NO/c14-11(15)13(16,17)9-18-8-10-4-7-12(19-10)5-2-1-3-6-12/h10-11,18H,1-9H2
InChIKeyGTSXBWUFFLHYHZ-UHFFFAOYSA-N
MW283.31 g/mol
LogP3.36
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine

2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (PubChem CID 106292007) has the molecular formula C13H21F4NO and a molecular weight of 283.31 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
PubChem CID106292007
Molecular FormulaC13H21F4NO
Molecular Weight283.31 g/mol
Exact Mass283.16
IUPAC Name2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
SMILESFC(F)C(F)(F)CNCC1CCC2(CCCCC2)O1
InChIInChI=1S/C13H21F4NO/c14-11(15)13(16,17)9-18-8-10-4-7-12(19-10)5-2-1-3-6-12/h10-11,18H,1-9H2
InChIKeyGTSXBWUFFLHYHZ-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 53.36
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

2-(1,2,2,3,3,4,4,5,5,6,6-Undecafluorocyclohexyl)morpholine
CID 20085729
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
CID 20648533
3-[(2,4-difluorocyclohexyl)methyl]-N-(oxolan-2-ylmethyl)hexan-1-amine
CID 166960836
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]propan-1-amine
CID 55036485
3,3-Difluoro-1-oxa-7-azaspiro[4.5]decane
CID 55280740
N-[[1-(2,2,2-trifluoroethoxy)cyclohexyl]methyl]ethanamine
CID 62110412
N-(oxolan-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753822
N-[1-(oxolan-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 64756483
N-(oxolan-2-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 64757254
N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758061
N-(oxolan-2-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 64758790
N-[1-(oxolan-2-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 64759795

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The IUPAC name of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine (CID 106292007) is 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine is FC(F)C(F)(F)CNCC1CCC2(CCCCC2)O1.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
The InChIKey is GTSXBWUFFLHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F4NO/c14-11(15)13(16,17)9-18-8-10-4-7-12(19-10)5-2-1-3-6-12/h10-11,18H,1-9H2.
What are the key properties of 2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine?
2,2,3,3-tetrafluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine has a molecular weight of 283.31 g/mol, XLogP of 3.36, 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[4.5]decan-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 106292007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).