1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene

C8H5BrFNO — CID 134879050

IUPAC1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene
SMILESO=N/C(=C/Br)c1ccc(F)cc1
InChIInChI=1S/C8H5BrFNO/c9-5-8(11-12)6-1-3-7(10)4-2-6/h1-5H/b8-5+
InChIKeyBIYSPXRKDPUPCD-VMPITWQZSA-N
MW230.04 g/mol
LogP3.29
Rot. Bonds2

About 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene

1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene (PubChem CID 134879050) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene
PubChem CID134879050
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene
SMILESO=N/C(=C/Br)c1ccc(F)cc1
InChIInChI=1S/C8H5BrFNO/c9-5-8(11-12)6-1-3-7(10)4-2-6/h1-5H/b8-5+
InChIKeyBIYSPXRKDPUPCD-VMPITWQZSA-N
XLogP3.29
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene?
The IUPAC name of 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene (CID 134879050) is 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene.
What is the SMILES notation for 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene?
The canonical SMILES for 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene is O=N/C(=C/Br)c1ccc(F)cc1.
What is the InChIKey of 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene?
The InChIKey is BIYSPXRKDPUPCD-VMPITWQZSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-5-8(11-12)6-1-3-7(10)4-2-6/h1-5H/b8-5+.
What are the key properties of 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene?
1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene has a molecular weight of 230.04 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-bromo-1-nitrosoethenyl]-4-fluorobenzene is sourced from PubChem (CID 134879050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).