4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene

C8H4ClF4NO — CID 91569146

IUPAC4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene
SMILESO=NC(Cl)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-2-5(6(10)3-4)8(11,12)13/h1-3,7H
InChIKeySBVTWMVAPZWHBU-UHFFFAOYSA-N
MW241.57 g/mol
LogP3.85
Rot. Bonds2

About 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene

4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene (PubChem CID 91569146) has the molecular formula C8H4ClF4NO and a molecular weight of 241.57 g/mol. Its IUPAC name is 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene
PubChem CID91569146
Molecular FormulaC8H4ClF4NO
Molecular Weight241.57 g/mol
Exact Mass240.99
IUPAC Name4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene
SMILESO=NC(Cl)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-2-5(6(10)3-4)8(11,12)13/h1-3,7H
InChIKeySBVTWMVAPZWHBU-UHFFFAOYSA-N
XLogP3.85
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.57
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene?
The IUPAC name of 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene (CID 91569146) is 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene.
What is the SMILES notation for 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene?
The canonical SMILES for 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene is O=NC(Cl)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene?
The InChIKey is SBVTWMVAPZWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-2-5(6(10)3-4)8(11,12)13/h1-3,7H.
What are the key properties of 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene?
4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene has a molecular weight of 241.57 g/mol, XLogP of 3.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[chloro(nitroso)methyl]-2-fluoro-1-(trifluoromethyl)benzene is sourced from PubChem (CID 91569146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).