3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

C13H22F3NO — CID 79914930

IUPAC3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-11(17)10-4-7-18-12(8-10)5-2-1-3-6-12/h10-11H,1-9,17H2
InChIKeyABVBQLCTMMWTRX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.40
Rot. Bonds2

About 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 79914930) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID79914930
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-11(17)10-4-7-18-12(8-10)5-2-1-3-6-12/h10-11H,1-9,17H2
InChIKeyABVBQLCTMMWTRX-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (CID 79914930) is 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is NC(CC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is ABVBQLCTMMWTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-11(17)10-4-7-18-12(8-10)5-2-1-3-6-12/h10-11H,1-9,17H2.
What are the key properties of 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 79914930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).