1,2,3-trifluoro-5-nitrosobenzene

C6H2F3NO — CID 88863588

IUPAC1,2,3-trifluoro-5-nitrosobenzene
SMILESO=Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C6H2F3NO/c7-4-1-3(10-11)2-5(8)6(4)9/h1-2H
InChIKeyLBSIITXUPQULDC-UHFFFAOYSA-N
MW161.08 g/mol
LogP2.50
Rot. Bonds1

About 1,2,3-trifluoro-5-nitrosobenzene

1,2,3-trifluoro-5-nitrosobenzene (PubChem CID 88863588) has the molecular formula C6H2F3NO and a molecular weight of 161.08 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-nitrosobenzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-nitrosobenzene
PubChem CID88863588
Molecular FormulaC6H2F3NO
Molecular Weight161.08 g/mol
Exact Mass161.01
IUPAC Name1,2,3-trifluoro-5-nitrosobenzene
SMILESO=Nc1cc(F)c(F)c(F)c1
InChIInChI=1S/C6H2F3NO/c7-4-1-3(10-11)2-5(8)6(4)9/h1-2H
InChIKeyLBSIITXUPQULDC-UHFFFAOYSA-N
XLogP2.50
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.08
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-fluoro-2-methyl-5-nitrosobenzene
CID 170751728
1,2,5-trifluoro-3-nitrosobenzene
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3-fluoro-5-nitrosobenzoic acid
CID 126689712
5-arsoroso-1,2,3-trifluorobenzene
CID 172524637
CID 121362412
CID 121362412
3,4,5-trifluorophenol
CID 2777943
1-chloro-2,3-difluoro-5-isocyanatobenzene
CID 19612345
10-(2,6-difluoro-4-nitrosophenyl)-5,8-dioxa-10-azadispiro[2.0.44.33]undecane
CID 90922375
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
tris(3,4,5-trifluorophenyl)borane
CID 159623695
N'-(3,4,5-trifluorophenyl)benzenecarboximidamide
CID 55160149
1,2,4,5-tetrafluoro-3,6-dinitrosobenzene
CID 166749882

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-nitrosobenzene?
The IUPAC name of 1,2,3-trifluoro-5-nitrosobenzene (CID 88863588) is 1,2,3-trifluoro-5-nitrosobenzene.
What is the SMILES notation for 1,2,3-trifluoro-5-nitrosobenzene?
The canonical SMILES for 1,2,3-trifluoro-5-nitrosobenzene is O=Nc1cc(F)c(F)c(F)c1.
What is the InChIKey of 1,2,3-trifluoro-5-nitrosobenzene?
The InChIKey is LBSIITXUPQULDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3NO/c7-4-1-3(10-11)2-5(8)6(4)9/h1-2H.
What are the key properties of 1,2,3-trifluoro-5-nitrosobenzene?
1,2,3-trifluoro-5-nitrosobenzene has a molecular weight of 161.08 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-nitrosobenzene is sourced from PubChem (CID 88863588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).