4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine

C17H29F3N2O — CID 125485634

IUPAC4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine
SMILESFC(F)(F)[C@H]1CCC[C@@]2(CCN(CCCN3CCOCC3)C2)C1
InChIInChI=1S/C17H29F3N2O/c18-17(19,20)15-3-1-4-16(13-15)5-8-22(14-16)7-2-6-21-9-11-23-12-10-21/h15H,1-14H2/t15-,16+/m0/s1
InChIKeyUYASQFFFNBRZPH-JKSUJKDBSA-N
MW334.43 g/mol
LogP3.15
Rot. Bonds4

About 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine

4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine (PubChem CID 125485634) has the molecular formula C17H29F3N2O and a molecular weight of 334.43 g/mol. Its IUPAC name is 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine
PubChem CID125485634
Molecular FormulaC17H29F3N2O
Molecular Weight334.43 g/mol
Exact Mass334.22
IUPAC Name4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine
SMILESFC(F)(F)[C@H]1CCC[C@@]2(CCN(CCCN3CCOCC3)C2)C1
InChIInChI=1S/C17H29F3N2O/c18-17(19,20)15-3-1-4-16(13-15)5-8-22(14-16)7-2-6-21-9-11-23-12-10-21/h15H,1-14H2/t15-,16+/m0/s1
InChIKeyUYASQFFFNBRZPH-JKSUJKDBSA-N
XLogP3.15
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine?
The IUPAC name of 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine (CID 125485634) is 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine is FC(F)(F)[C@H]1CCC[C@@]2(CCN(CCCN3CCOCC3)C2)C1.
What is the InChIKey of 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine?
The InChIKey is UYASQFFFNBRZPH-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H29F3N2O/c18-17(19,20)15-3-1-4-16(13-15)5-8-22(14-16)7-2-6-21-9-11-23-12-10-21/h15H,1-14H2/t15-,16+/m0/s1.
What are the key properties of 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine?
4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine has a molecular weight of 334.43 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5S,7S)-7-(trifluoromethyl)-2-azaspiro[4.5]decan-2-yl]propyl]morpholine is sourced from PubChem (CID 125485634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).