methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate

C10H8F3NO3 — CID 142259735

IUPACmethyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)cc1N=O
InChIInChI=1S/C10H8F3NO3/c1-17-9(15)4-6-2-3-7(10(11,12)13)5-8(6)14-16/h2-3,5H,4H2,1H3
InChIKeyOXOYLHQUUMAMFA-UHFFFAOYSA-N
MW247.17 g/mol
LogP2.82
Rot. Bonds3

About methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate

methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate (PubChem CID 142259735) has the molecular formula C10H8F3NO3 and a molecular weight of 247.17 g/mol. Its IUPAC name is methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate
PubChem CID142259735
Molecular FormulaC10H8F3NO3
Molecular Weight247.17 g/mol
Exact Mass247.05
IUPAC Namemethyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccc(C(F)(F)F)cc1N=O
InChIInChI=1S/C10H8F3NO3/c1-17-9(15)4-6-2-3-7(10(11,12)13)5-8(6)14-16/h2-3,5H,4H2,1H3
InChIKeyOXOYLHQUUMAMFA-UHFFFAOYSA-N
XLogP2.82
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.17
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
methyl 2-[2-ethynyl-5-(trifluoromethyl)phenyl]acetate
CID 86712711
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
1-methyl-2-nitroso-4-(trifluoromethyl)benzene
CID 89173391
methyl 3-[2-iodo-5-(trifluoromethyl)phenyl]propanoate
CID 129319237
methyl 2-[4-methyl-7-(trifluoromethyl)quinolin-2-yl]acetate
CID 82575136
methyl 2-[3-nitroso-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]acetate
CID 82356853
methyl 2-[[3-(trifluoromethyl)phenyl]methylideneamino]acetate
CID 101464483
2-[2-(methoxymethyl)-5-(trifluoromethyl)phenyl]acetic acid
CID 91883910
methyl 2-[4-(1-nitrosoethyl)-3-[4-(trifluoromethyl)phenyl]phenyl]acetate
CID 91219656
methyl 4-[2-hydroxy-5-(trifluoromethyl)phenyl]-4-oxobutanoate
CID 82550609

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate (CID 142259735) is methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate is COC(=O)Cc1ccc(C(F)(F)F)cc1N=O.
What is the InChIKey of methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate?
The InChIKey is OXOYLHQUUMAMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO3/c1-17-9(15)4-6-2-3-7(10(11,12)13)5-8(6)14-16/h2-3,5H,4H2,1H3.
What are the key properties of methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate?
methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate has a molecular weight of 247.17 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-nitroso-4-(trifluoromethyl)phenyl]acetate is sourced from PubChem (CID 142259735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).