4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

C13H22F3NO — CID 79953439

IUPAC4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)7-3-11(17)10-4-8-18-12(9-10)5-1-2-6-12/h10-11H,1-9,17H2
InChIKeySKEWTHKAKBKNEX-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.40
Rot. Bonds3

About 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine

4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (PubChem CID 79953439) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
PubChem CID79953439
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
SMILESNC(CCC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)7-3-11(17)10-4-8-18-12(9-10)5-1-2-6-12/h10-11H,1-9,17H2
InChIKeySKEWTHKAKBKNEX-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine (CID 79953439) is 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is NC(CCC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
The InChIKey is SKEWTHKAKBKNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)7-3-11(17)10-4-8-18-12(9-10)5-1-2-6-12/h10-11H,1-9,17H2.
What are the key properties of 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine?
4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine has a molecular weight of 265.32 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine is sourced from PubChem (CID 79953439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).