1-methyl-2-nitroso-4-(trifluoromethyl)benzene

C8H6F3NO — CID 89173391

IUPAC1-methyl-2-nitroso-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1N=O
InChIInChI=1S/C8H6F3NO/c1-5-2-3-6(8(9,10)11)4-7(5)12-13/h2-4H,1H3
InChIKeyDBJGFNXLPGZWAJ-UHFFFAOYSA-N
MW189.14 g/mol
LogP3.41
Rot. Bonds1

About 1-methyl-2-nitroso-4-(trifluoromethyl)benzene

1-methyl-2-nitroso-4-(trifluoromethyl)benzene (PubChem CID 89173391) has the molecular formula C8H6F3NO and a molecular weight of 189.14 g/mol. Its IUPAC name is 1-methyl-2-nitroso-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-methyl-2-nitroso-4-(trifluoromethyl)benzene
PubChem CID89173391
Molecular FormulaC8H6F3NO
Molecular Weight189.14 g/mol
Exact Mass189.04
IUPAC Name1-methyl-2-nitroso-4-(trifluoromethyl)benzene
SMILESCc1ccc(C(F)(F)F)cc1N=O
InChIInChI=1S/C8H6F3NO/c1-5-2-3-6(8(9,10)11)4-7(5)12-13/h2-4H,1H3
InChIKeyDBJGFNXLPGZWAJ-UHFFFAOYSA-N
XLogP3.41
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.14
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-nitroso-4-(trifluoromethyl)benzene?
The IUPAC name of 1-methyl-2-nitroso-4-(trifluoromethyl)benzene (CID 89173391) is 1-methyl-2-nitroso-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-methyl-2-nitroso-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-methyl-2-nitroso-4-(trifluoromethyl)benzene is Cc1ccc(C(F)(F)F)cc1N=O.
What is the InChIKey of 1-methyl-2-nitroso-4-(trifluoromethyl)benzene?
The InChIKey is DBJGFNXLPGZWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO/c1-5-2-3-6(8(9,10)11)4-7(5)12-13/h2-4H,1H3.
What are the key properties of 1-methyl-2-nitroso-4-(trifluoromethyl)benzene?
1-methyl-2-nitroso-4-(trifluoromethyl)benzene has a molecular weight of 189.14 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-nitroso-4-(trifluoromethyl)benzene is sourced from PubChem (CID 89173391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).