2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane

C12H20F3N — CID 170739932

IUPAC2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
SMILESCCC1CC2(CCN(CCC(F)(F)F)C2)C1
InChIInChI=1S/C12H20F3N/c1-2-10-7-11(8-10)3-5-16(9-11)6-4-12(13,14)15/h10H,2-9H2,1H3
InChIKeyCWXIHIORVSOMRF-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.45
Rot. Bonds3

About 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane

2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane (PubChem CID 170739932) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane.

Molecular Properties

Compound Name2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
PubChem CID170739932
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC Name2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane
SMILESCCC1CC2(CCN(CCC(F)(F)F)C2)C1
InChIInChI=1S/C12H20F3N/c1-2-10-7-11(8-10)3-5-16(9-11)6-4-12(13,14)15/h10H,2-9H2,1H3
InChIKeyCWXIHIORVSOMRF-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane?
The IUPAC name of 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane (CID 170739932) is 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane.
What is the SMILES notation for 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane?
The canonical SMILES for 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane is CCC1CC2(CCN(CCC(F)(F)F)C2)C1.
What is the InChIKey of 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane?
The InChIKey is CWXIHIORVSOMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c1-2-10-7-11(8-10)3-5-16(9-11)6-4-12(13,14)15/h10H,2-9H2,1H3.
What are the key properties of 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane?
2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane has a molecular weight of 235.29 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[3.4]octane is sourced from PubChem (CID 170739932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).