1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one

C10H14F3NO3 — CID 124627376

IUPAC1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCOC[C@@]12CCOC2
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-8(15)14-2-4-17-7-9(14)1-3-16-6-9/h1-7H2/t9-/m0/s1
InChIKeyQFLMKPJSXIDWDI-VIFPVBQESA-N
MW253.22 g/mol
LogP0.96
Rot. Bonds1

About 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one

1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one (PubChem CID 124627376) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one.

Molecular Properties

Compound Name1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one
PubChem CID124627376
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one
SMILESO=C(CC(F)(F)F)N1CCOC[C@@]12CCOC2
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)5-8(15)14-2-4-17-7-9(14)1-3-16-6-9/h1-7H2/t9-/m0/s1
InChIKeyQFLMKPJSXIDWDI-VIFPVBQESA-N
XLogP0.96
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one?
The IUPAC name of 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one (CID 124627376) is 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one.
What is the SMILES notation for 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one?
The canonical SMILES for 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one is O=C(CC(F)(F)F)N1CCOC[C@@]12CCOC2.
What is the InChIKey of 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one?
The InChIKey is QFLMKPJSXIDWDI-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)5-8(15)14-2-4-17-7-9(14)1-3-16-6-9/h1-7H2/t9-/m0/s1.
What are the key properties of 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one?
1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one has a molecular weight of 253.22 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-3,3,3-trifluoropropan-1-one is sourced from PubChem (CID 124627376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).