1-fluoro-2-nitroso-3-(trifluoromethyl)benzene

C7H3F4NO — CID 89289121

IUPAC1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
SMILESO=Nc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C7H3F4NO/c8-5-3-1-2-4(6(5)12-13)7(9,10)11/h1-3H
InChIKeyZYEBPOIHPDNYOH-UHFFFAOYSA-N
MW193.10 g/mol
LogP3.24
Rot. Bonds1

About 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene

1-fluoro-2-nitroso-3-(trifluoromethyl)benzene (PubChem CID 89289121) has the molecular formula C7H3F4NO and a molecular weight of 193.10 g/mol. Its IUPAC name is 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
PubChem CID89289121
Molecular FormulaC7H3F4NO
Molecular Weight193.10 g/mol
Exact Mass193.02
IUPAC Name1-fluoro-2-nitroso-3-(trifluoromethyl)benzene
SMILESO=Nc1c(F)cccc1C(F)(F)F
InChIInChI=1S/C7H3F4NO/c8-5-3-1-2-4(6(5)12-13)7(9,10)11/h1-3H
InChIKeyZYEBPOIHPDNYOH-UHFFFAOYSA-N
XLogP3.24
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.10
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(NE)-N-[[2-fluoro-6-(trifluoromethyl)phenyl]methylidene]hydroxylamine
CID 22319291
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
dipotassium;1-fluoro-2-(trifluoromethyl)benzene;oxygen(2-)
CID 172725076
1,2-difluoro-3-(trifluoromethyl)benzene;sulfuryl dichloride
CID 174535656
[2-fluoro-6-(trifluoromethyl)phenyl]urea
CID 83403332
1-(3-fluoro-2-nitrosophenyl)ethenol
CID 89361189
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethenamine
CID 77481750
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
2-(2,3-difluorophenyl)-2,2-difluoroacetaldehyde
CID 105445622
2-(dichloromethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 16743979
CID 69226515
CID 69226515
[[2-fluoro-6-(trifluoromethyl)phenyl]methylideneamino]thiourea
CID 168534170

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene (CID 89289121) is 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene is O=Nc1c(F)cccc1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene?
The InChIKey is ZYEBPOIHPDNYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO/c8-5-3-1-2-4(6(5)12-13)7(9,10)11/h1-3H.
What are the key properties of 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene?
1-fluoro-2-nitroso-3-(trifluoromethyl)benzene has a molecular weight of 193.10 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-nitroso-3-(trifluoromethyl)benzene is sourced from PubChem (CID 89289121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).