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

C12H20F3NO — CID 64756956

IUPACN-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3NO/c1-16-10-4-7-17-11(8-10)5-2-9(3-6-11)12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyQKWWCUGZYHYJDA-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.88
Rot. Bonds1

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

N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (PubChem CID 64756956) has the molecular formula C12H20F3NO and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.

Molecular Properties

Compound NameN-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
PubChem CID64756956
Molecular FormulaC12H20F3NO
Molecular Weight251.29 g/mol
Exact Mass251.15
IUPAC NameN-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine
SMILESCNC1CCOC2(CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C12H20F3NO/c1-16-10-4-7-17-11(8-10)5-2-9(3-6-11)12(13,14)15/h9-10,16H,2-8H2,1H3
InChIKeyQKWWCUGZYHYJDA-UHFFFAOYSA-N
XLogP2.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The IUPAC name of N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine (CID 64756956) is N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine.
What is the SMILES notation for N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The canonical SMILES for N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is CNC1CCOC2(CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
The InChIKey is QKWWCUGZYHYJDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO/c1-16-10-4-7-17-11(8-10)5-2-9(3-6-11)12(13,14)15/h9-10,16H,2-8H2,1H3.
What are the key properties of N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine?
N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine has a molecular weight of 251.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(trifluoromethyl)-1-oxaspiro[5.5]undecan-4-amine is sourced from PubChem (CID 64756956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).