3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

C12H20F3NO — CID 79915034

IUPAC3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-10(16)9-3-6-17-11(7-9)4-1-2-5-11/h9-10H,1-8,16H2
InChIKeyFWSAQYVGYPPTAK-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.01
Rot. Bonds2

About 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine

3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (PubChem CID 79915034) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
PubChem CID79915034
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC Name3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
SMILESNC(CC(F)(F)F)C1CCOC2(CCCC2)C1
InChIInChI=1S/C12H20F3NO/c13-12(14,15)8-10(16)9-3-6-17-11(7-9)4-1-2-5-11/h9-10H,1-8,16H2
InChIKeyFWSAQYVGYPPTAK-UHFFFAOYSA-N
XLogP3.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 53.01
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-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine (CID 79915034) is 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is NC(CC(F)(F)F)C1CCOC2(CCCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
The InChIKey is FWSAQYVGYPPTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c13-12(14,15)8-10(16)9-3-6-17-11(7-9)4-1-2-5-11/h9-10H,1-8,16H2.
What are the key properties of 3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine?
3,3,3-trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine has a molecular weight of 251.29 g/mol, XLogP of 3.01, 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-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine is sourced from PubChem (CID 79915034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).