(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol

C11H19F3N2O2 — CID 131906993

IUPAC(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(CCC(F)(F)F)C[C@@H]1N1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)1-2-15-7-9(10(17)8-15)16-3-5-18-6-4-16/h9-10,17H,1-8H2/t9-,10-/m0/s1
InChIKeySHLUQTDMZIIARN-UWVGGRQHSA-N
MW268.28 g/mol
LogP0.32
Rot. Bonds3

About (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol

(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (PubChem CID 131906993) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
PubChem CID131906993
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol
SMILESO[C@H]1CN(CCC(F)(F)F)C[C@@H]1N1CCOCC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)1-2-15-7-9(10(17)8-15)16-3-5-18-6-4-16/h9-10,17H,1-8H2/t9-,10-/m0/s1
InChIKeySHLUQTDMZIIARN-UWVGGRQHSA-N
XLogP0.32
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol (CID 131906993) is (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is O[C@H]1CN(CCC(F)(F)F)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
The InChIKey is SHLUQTDMZIIARN-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)1-2-15-7-9(10(17)8-15)16-3-5-18-6-4-16/h9-10,17H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol?
(3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol has a molecular weight of 268.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-morpholin-4-yl-1-(3,3,3-trifluoropropyl)pyrrolidin-3-ol is sourced from PubChem (CID 131906993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).