ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate

C9H13F3N4O3 — CID 142042969

IUPACethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate
SMILESCC.COC(=O)Nc1nc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N4O3.C2H6/c1-16-5-12-3(7(8,9)10)11-4(13-5)14-6(15)17-2;1-2/h1-2H3,(H,11,12,13,14,15);1-2H3
InChIKeyBCNSVAYSJGNRFM-UHFFFAOYSA-N
MW282.22 g/mol
LogP2.10
Rot. Bonds2

About ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate

ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate (PubChem CID 142042969) has the molecular formula C9H13F3N4O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Nameethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate
PubChem CID142042969
Molecular FormulaC9H13F3N4O3
Molecular Weight282.22 g/mol
Exact Mass282.09
IUPAC Nameethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate
SMILESCC.COC(=O)Nc1nc(OC)nc(C(F)(F)F)n1
InChIInChI=1S/C7H7F3N4O3.C2H6/c1-16-5-12-3(7(8,9)10)11-4(13-5)14-6(15)17-2;1-2/h1-2H3,(H,11,12,13,14,15);1-2H3
InChIKeyBCNSVAYSJGNRFM-UHFFFAOYSA-N
XLogP2.10
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 19693853
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CID 53850690
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CID 68851222
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Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate (CID 142042969) is ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate is CC.COC(=O)Nc1nc(OC)nc(C(F)(F)F)n1.
What is the InChIKey of ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is BCNSVAYSJGNRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N4O3.C2H6/c1-16-5-12-3(7(8,9)10)11-4(13-5)14-6(15)17-2;1-2/h1-2H3,(H,11,12,13,14,15);1-2H3.
What are the key properties of ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate?
ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 282.22 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl N-[4-methoxy-6-(trifluoromethyl)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 142042969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).