N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine

C15H26F3NO — CID 66351400

IUPACN-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C12CCCCCC2
InChIInChI=1S/C15H26F3NO/c1-3-19-12-10-13(20-11(2)15(16,17)18)14(12)8-6-4-5-7-9-14/h11-13,19H,3-10H2,1-2H3
InChIKeyWNMGKUBUUKUGOR-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds4

About N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine

N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine (PubChem CID 66351400) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
PubChem CID66351400
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
SMILESCCNC1CC(OC(C)C(F)(F)F)C12CCCCCC2
InChIInChI=1S/C15H26F3NO/c1-3-19-12-10-13(20-11(2)15(16,17)18)14(12)8-6-4-5-7-9-14/h11-13,19H,3-10H2,1-2H3
InChIKeyWNMGKUBUUKUGOR-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The IUPAC name of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine (CID 66351400) is N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine.
What is the SMILES notation for N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The canonical SMILES for N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine is CCNC1CC(OC(C)C(F)(F)F)C12CCCCCC2.
What is the InChIKey of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
The InChIKey is WNMGKUBUUKUGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-3-19-12-10-13(20-11(2)15(16,17)18)14(12)8-6-4-5-7-9-14/h11-13,19H,3-10H2,1-2H3.
What are the key properties of N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine?
N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine is sourced from PubChem (CID 66351400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).