2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

C19H23F3N2O2 — CID 164737051

IUPAC2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N([C@H]1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18/h1-5,14-16,23H,6-12H2/t14-,15+,16-/m1/s1
InChIKeyZBFSUWRDHTUQLB-OWCLPIDISA-N
MW368.40 g/mol
LogP2.84
Rot. Bonds3

About 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide

2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (PubChem CID 164737051) has the molecular formula C19H23F3N2O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
PubChem CID164737051
Molecular FormulaC19H23F3N2O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide
SMILESO=C(N([C@H]1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H23F3N2O2/c20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18/h1-5,14-16,23H,6-12H2/t14-,15+,16-/m1/s1
InChIKeyZBFSUWRDHTUQLB-OWCLPIDISA-N
XLogP2.84
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide (CID 164737051) is 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is O=C(N([C@H]1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
The InChIKey is ZBFSUWRDHTUQLB-OWCLPIDISA-N. The full InChI is InChI=1S/C19H23F3N2O2/c20-19(21,22)17(25)24(16-10-15(16)13-4-2-1-3-5-13)14-11-18(26-12-14)6-8-23-9-7-18/h1-5,14-16,23H,6-12H2/t14-,15+,16-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide?
2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide has a molecular weight of 368.40 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]-N-[(1R,2S)-2-phenylcyclopropyl]acetamide is sourced from PubChem (CID 164737051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).