N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine

C13H22F3NO — CID 64757154

IUPACN-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H22F3NO/c1-2-17-11-5-8-18-12(9-11)6-3-10(4-7-12)13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyZSOGHFRYIWDYDB-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.27
Rot. Bonds2

About N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine

N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 64757154) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID64757154
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC NameN-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCCNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C13H22F3NO/c1-2-17-11-5-8-18-12(9-11)6-3-10(4-7-12)13(14,15)16/h10-11,17H,2-9H2,1H3
InChIKeyZSOGHFRYIWDYDB-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 64757154) is N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is CCNC1CCOC2(CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is ZSOGHFRYIWDYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c1-2-17-11-5-8-18-12(9-11)6-3-10(4-7-12)13(14,15)16/h10-11,17H,2-9H2,1H3.
What are the key properties of N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 265.32 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 64757154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).