3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine

C11H18F3NO — CID 66350308

IUPAC3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCC(OC1CC(N)C12CCCC2)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-7(11(12,13)14)16-9-6-8(15)10(9)4-2-3-5-10/h7-9H,2-6,15H2,1H3
InChIKeyXSUPTUIELVNEHU-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.61
Rot. Bonds2

About 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine

3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine (PubChem CID 66350308) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
PubChem CID66350308
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
SMILESCC(OC1CC(N)C12CCCC2)C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-7(11(12,13)14)16-9-6-8(15)10(9)4-2-3-5-10/h7-9H,2-6,15H2,1H3
InChIKeyXSUPTUIELVNEHU-UHFFFAOYSA-N
XLogP2.61
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The IUPAC name of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine (CID 66350308) is 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The canonical SMILES for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine is CC(OC1CC(N)C12CCCC2)C(F)(F)F.
What is the InChIKey of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
The InChIKey is XSUPTUIELVNEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-7(11(12,13)14)16-9-6-8(15)10(9)4-2-3-5-10/h7-9H,2-6,15H2,1H3.
What are the key properties of 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine?
3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine has a molecular weight of 237.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine is sourced from PubChem (CID 66350308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).