1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione

C11H9F3N2O2 — CID 70692250

IUPAC1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-2-1-3-8(6-7)16-5-4-9(17)15-10(16)18/h1-3,6H,4-5H2,(H,15,17,18)
InChIKeyDPTSEEWURHONST-UHFFFAOYSA-N
MW258.20 g/mol
LogP2.15
Rot. Bonds1

About 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione

1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione (PubChem CID 70692250) has the molecular formula C11H9F3N2O2 and a molecular weight of 258.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
PubChem CID70692250
Molecular FormulaC11H9F3N2O2
Molecular Weight258.20 g/mol
Exact Mass258.06
IUPAC Name1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2cccc(C(F)(F)F)c2)C(=O)N1
InChIInChI=1S/C11H9F3N2O2/c12-11(13,14)7-2-1-3-8(6-7)16-5-4-9(17)15-10(16)18/h1-3,6H,4-5H2,(H,15,17,18)
InChIKeyDPTSEEWURHONST-UHFFFAOYSA-N
XLogP2.15
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-methyl-3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione
CID 79777682
1-[3-[3-[3-(2,4-dioxo-1,3-diazinan-1-yl)phenoxy]-1,4-dioxonaphthalen-2-yl]oxyphenyl]-1,3-diazinane-2,4-dione
CID 53364156
3-[3-oxo-6-[2-oxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170628727
(2,5-dioxopyrrolidin-1-yl) 3-(2,4-dioxo-1,3-diazinan-1-yl)benzoate
CID 175661840
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
(1S,2R,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 69106201
5-methyl-1-phenyl-3-[3-(trifluoromethyl)phenyl]-1,3-diazinan-2-one
CID 13284556
1-[3-(1-methyltriazol-4-yl)phenyl]-1,3-diazinane-2,4-dione
CID 156707036
(3R,4R)-3-chloro-4-(chloromethyl)-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 811359
(1S,2R,6S,7R)-4-[3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.2.02,6]undec-8-en-3-one
CID 69151810
3-[2,5-dioxo-3-[3-(trifluoromethyl)phenyl]imidazolidin-1-yl]benzoic acid
CID 10384140
(3R,4S)-4-(chloromethyl)-3-fluoro-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 70482571

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione (CID 70692250) is 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione is O=C1CCN(c2cccc(C(F)(F)F)c2)C(=O)N1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
The InChIKey is DPTSEEWURHONST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O2/c12-11(13,14)7-2-1-3-8(6-7)16-5-4-9(17)15-10(16)18/h1-3,6H,4-5H2,(H,15,17,18).
What are the key properties of 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione?
1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione has a molecular weight of 258.20 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 70692250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).