3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine

C12H17F6NO — CID 103312137

IUPAC3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c13-11(14,15)9(12(16,17)18)8(19)7-2-5-20-10(6-7)3-1-4-10/h7-9H,1-6,19H2
InChIKeyAKYULGIXBCQCFB-UHFFFAOYSA-N
MW305.26 g/mol
LogP3.40
Rot. Bonds2

About 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine

3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine (PubChem CID 103312137) has the molecular formula C12H17F6NO and a molecular weight of 305.26 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine
PubChem CID103312137
Molecular FormulaC12H17F6NO
Molecular Weight305.26 g/mol
Exact Mass305.12
IUPAC Name3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine
SMILESNC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H17F6NO/c13-11(14,15)9(12(16,17)18)8(19)7-2-5-20-10(6-7)3-1-4-10/h7-9H,1-6,19H2
InChIKeyAKYULGIXBCQCFB-UHFFFAOYSA-N
XLogP3.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
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-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine (CID 103312137) is 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine is NC(C1CCOC2(CCC2)C1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine?
The InChIKey is AKYULGIXBCQCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F6NO/c13-11(14,15)9(12(16,17)18)8(19)7-2-5-20-10(6-7)3-1-4-10/h7-9H,1-6,19H2.
What are the key properties of 3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine?
3,3,3-trifluoro-1-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine has a molecular weight of 305.26 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-(5-oxaspiro[3.5]nonan-8-yl)-2-(trifluoromethyl)propan-1-amine is sourced from PubChem (CID 103312137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).