(3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one

C20H20F3NO2 — CID 101266417

IUPAC(3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
SMILESC[C@@H]1OC(=O)[C@](NC(c2ccccc2)c2ccccc2)(C(F)(F)F)[C@H]1C
InChIInChI=1S/C20H20F3NO2/c1-13-14(2)26-18(25)19(13,20(21,22)23)24-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17,24H,1-2H3/t13-,14-,19-/m0/s1
InChIKeyIDUXURRFZUPXMK-NJSLBKSFSA-N
MW363.38 g/mol
LogP4.25
Rot. Bonds4

About (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one

(3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one (PubChem CID 101266417) has the molecular formula C20H20F3NO2 and a molecular weight of 363.38 g/mol. Its IUPAC name is (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one.

Molecular Properties

Compound Name(3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
PubChem CID101266417
Molecular FormulaC20H20F3NO2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC Name(3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one
SMILESC[C@@H]1OC(=O)[C@](NC(c2ccccc2)c2ccccc2)(C(F)(F)F)[C@H]1C
InChIInChI=1S/C20H20F3NO2/c1-13-14(2)26-18(25)19(13,20(21,22)23)24-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17,24H,1-2H3/t13-,14-,19-/m0/s1
InChIKeyIDUXURRFZUPXMK-NJSLBKSFSA-N
XLogP4.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one?
The IUPAC name of (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one (CID 101266417) is (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one.
What is the SMILES notation for (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one?
The canonical SMILES for (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one is C[C@@H]1OC(=O)[C@](NC(c2ccccc2)c2ccccc2)(C(F)(F)F)[C@H]1C.
What is the InChIKey of (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one?
The InChIKey is IDUXURRFZUPXMK-NJSLBKSFSA-N. The full InChI is InChI=1S/C20H20F3NO2/c1-13-14(2)26-18(25)19(13,20(21,22)23)24-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-14,17,24H,1-2H3/t13-,14-,19-/m0/s1.
What are the key properties of (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one?
(3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one has a molecular weight of 363.38 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-3-(benzhydrylamino)-4,5-dimethyl-3-(trifluoromethyl)oxolan-2-one is sourced from PubChem (CID 101266417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).