4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione

C20H16F3N3O2 — CID 139316510

IUPAC4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n([C@H]2c3c(cccc3C(F)(F)F)C=C[C@@H]2c2ccccc2)c1=O
InChIInChI=1S/C20H16F3N3O2/c1-25-18(27)24-26(19(25)28)17-14(12-6-3-2-4-7-12)11-10-13-8-5-9-15(16(13)17)20(21,22)23/h2-11,14,17H,1H3,(H,24,27)/t14-,17-/m1/s1
InChIKeyZAVJROVPMOXATR-RHSMWYFYSA-N
MW387.36 g/mol
LogP3.29
Rot. Bonds2

About 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione

4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione (PubChem CID 139316510) has the molecular formula C20H16F3N3O2 and a molecular weight of 387.36 g/mol. Its IUPAC name is 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
PubChem CID139316510
Molecular FormulaC20H16F3N3O2
Molecular Weight387.36 g/mol
Exact Mass387.12
IUPAC Name4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione
SMILESCn1c(=O)[nH]n([C@H]2c3c(cccc3C(F)(F)F)C=C[C@@H]2c2ccccc2)c1=O
InChIInChI=1S/C20H16F3N3O2/c1-25-18(27)24-26(19(25)28)17-14(12-6-3-2-4-7-12)11-10-13-8-5-9-15(16(13)17)20(21,22)23/h2-11,14,17H,1H3,(H,24,27)/t14-,17-/m1/s1
InChIKeyZAVJROVPMOXATR-RHSMWYFYSA-N
XLogP3.29
TPSA59.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.36
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione (CID 139316510) is 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione is Cn1c(=O)[nH]n([C@H]2c3c(cccc3C(F)(F)F)C=C[C@@H]2c2ccccc2)c1=O.
What is the InChIKey of 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is ZAVJROVPMOXATR-RHSMWYFYSA-N. The full InChI is InChI=1S/C20H16F3N3O2/c1-25-18(27)24-26(19(25)28)17-14(12-6-3-2-4-7-12)11-10-13-8-5-9-15(16(13)17)20(21,22)23/h2-11,14,17H,1H3,(H,24,27)/t14-,17-/m1/s1.
What are the key properties of 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione?
4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 387.36 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1R,2R)-2-phenyl-8-(trifluoromethyl)-1,2-dihydronaphthalen-1-yl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 139316510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).