(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

C19H20F3NO2 — CID 71694036

IUPAC(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C[C@H]1O
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)14-8-4-5-12(9-14)11-23-17-15(10-16(24)18(17)25)13-6-2-1-3-7-13/h1-9,15-18,23-25H,10-11H2/t15-,16-,17-,18-/m1/s1
InChIKeyABIGVQAHXVGLGA-BRSBDYLESA-N
MW351.37 g/mol
LogP3.07
Rot. Bonds4

About (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol

(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (PubChem CID 71694036) has the molecular formula C19H20F3NO2 and a molecular weight of 351.37 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
PubChem CID71694036
Molecular FormulaC19H20F3NO2
Molecular Weight351.37 g/mol
Exact Mass351.14
IUPAC Name(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol
SMILESO[C@H]1[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C[C@H]1O
InChIInChI=1S/C19H20F3NO2/c20-19(21,22)14-8-4-5-12(9-14)11-23-17-15(10-16(24)18(17)25)13-6-2-1-3-7-13/h1-9,15-18,23-25H,10-11H2/t15-,16-,17-,18-/m1/s1
InChIKeyABIGVQAHXVGLGA-BRSBDYLESA-N
XLogP3.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol (CID 71694036) is (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is O[C@H]1[C@H](NCc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)C[C@H]1O.
What is the InChIKey of (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
The InChIKey is ABIGVQAHXVGLGA-BRSBDYLESA-N. The full InChI is InChI=1S/C19H20F3NO2/c20-19(21,22)14-8-4-5-12(9-14)11-23-17-15(10-16(24)18(17)25)13-6-2-1-3-7-13/h1-9,15-18,23-25H,10-11H2/t15-,16-,17-,18-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol has a molecular weight of 351.37 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-phenyl-3-[[3-(trifluoromethyl)phenyl]methylamino]cyclopentane-1,2-diol is sourced from PubChem (CID 71694036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).