1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one

C13H19F3O2 — CID 66367069

IUPAC1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one
SMILESCC(OC1CC(=O)C12CCCCCC2)C(F)(F)F
InChIInChI=1S/C13H19F3O2/c1-9(13(14,15)16)18-11-8-10(17)12(11)6-4-2-3-5-7-12/h9,11H,2-8H2,1H3
InChIKeyYKDVQKCMMXKYSP-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.64
Rot. Bonds2

About 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one

1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one (PubChem CID 66367069) has the molecular formula C13H19F3O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one.

Molecular Properties

Compound Name1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one
PubChem CID66367069
Molecular FormulaC13H19F3O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC Name1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one
SMILESCC(OC1CC(=O)C12CCCCCC2)C(F)(F)F
InChIInChI=1S/C13H19F3O2/c1-9(13(14,15)16)18-11-8-10(17)12(11)6-4-2-3-5-7-12/h9,11H,2-8H2,1H3
InChIKeyYKDVQKCMMXKYSP-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one?
The IUPAC name of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one (CID 66367069) is 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one.
What is the SMILES notation for 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one?
The canonical SMILES for 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one is CC(OC1CC(=O)C12CCCCCC2)C(F)(F)F.
What is the InChIKey of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one?
The InChIKey is YKDVQKCMMXKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3O2/c1-9(13(14,15)16)18-11-8-10(17)12(11)6-4-2-3-5-7-12/h9,11H,2-8H2,1H3.
What are the key properties of 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one?
1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one has a molecular weight of 264.29 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-3-one is sourced from PubChem (CID 66367069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).