(3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

C16H21F3N2O2 — CID 28909629

IUPAC(3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)13-3-1-2-12(8-13)9-20-10-14(15(22)11-20)21-4-6-23-7-5-21/h1-3,8,14-15,22H,4-7,9-11H2/t14-,15-/m0/s1
InChIKeyVGWMZGMHFHWCSX-GJZGRUSLSA-N
MW330.35 g/mol
LogP1.58
Rot. Bonds3

About (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol

(3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (PubChem CID 28909629) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
PubChem CID28909629
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name(3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol
SMILESO[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1
InChIInChI=1S/C16H21F3N2O2/c17-16(18,19)13-3-1-2-12(8-13)9-20-10-14(15(22)11-20)21-4-6-23-7-5-21/h1-3,8,14-15,22H,4-7,9-11H2/t14-,15-/m0/s1
InChIKeyVGWMZGMHFHWCSX-GJZGRUSLSA-N
XLogP1.58
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 51.58
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-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol (CID 28909629) is (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is O[C@H]1CN(Cc2cccc(C(F)(F)F)c2)C[C@@H]1N1CCOCC1.
What is the InChIKey of (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
The InChIKey is VGWMZGMHFHWCSX-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c17-16(18,19)13-3-1-2-12(8-13)9-20-10-14(15(22)11-20)21-4-6-23-7-5-21/h1-3,8,14-15,22H,4-7,9-11H2/t14-,15-/m0/s1.
What are the key properties of (3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol?
(3S,4S)-4-morpholin-4-yl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol has a molecular weight of 330.35 g/mol, XLogP of 1.58, 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-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 28909629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).