4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol

C10H9BrFNO3 — CID 170498109

IUPAC4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol
SMILESO=[N+]([O-])c1cc(C=CCCBr)cc(F)c1O
InChIInChI=1S/C10H9BrFNO3/c11-4-2-1-3-7-5-8(12)10(14)9(6-7)13(15)16/h1,3,5-6,14H,2,4H2
InChIKeyVUHYCDQJCNHSRF-UHFFFAOYSA-N
MW290.09 g/mol
LogP3.24
Rot. Bonds4

About 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol

4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol (PubChem CID 170498109) has the molecular formula C10H9BrFNO3 and a molecular weight of 290.09 g/mol. Its IUPAC name is 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol.

Molecular Properties

Compound Name4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol
PubChem CID170498109
Molecular FormulaC10H9BrFNO3
Molecular Weight290.09 g/mol
Exact Mass288.97
IUPAC Name4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol
SMILESO=[N+]([O-])c1cc(C=CCCBr)cc(F)c1O
InChIInChI=1S/C10H9BrFNO3/c11-4-2-1-3-7-5-8(12)10(14)9(6-7)13(15)16/h1,3,5-6,14H,2,4H2
InChIKeyVUHYCDQJCNHSRF-UHFFFAOYSA-N
XLogP3.24
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-bromobut-1-enyl)-2-nitrophenol
CID 170497905
5-(4-bromobut-1-enyl)-2-methyl-3-nitropyridine
CID 170497793
4-(3,5-difluoro-4-nitrophenyl)but-3-en-1-ol
CID 170477214
1-(4-bromobut-1-enyl)-2-fluoro-4-methyl-5-nitrobenzene
CID 170498072
1-(4-bromobut-1-enyl)-4-fluoro-2-nitrobenzene
CID 170497851
3-(4-bromobut-1-enyl)-5-nitrobenzaldehyde
CID 170498120
1-[(E)-4-bromobut-1-enyl]-3,5-difluorobenzene
CID 82086369
4-(4-fluoro-3-nitrophenyl)but-3-ene-1-thiol
CID 170478745
(E)-3-(3,4-dihydroxy-5-nitrophenyl)-N,N-diethylprop-2-enamide;ethane
CID 143551437
2-(4-bromobut-1-enyl)-4-chloro-6-fluorophenol
CID 170497380
2-(4-chlorobut-1-enyl)-4-fluoro-6-nitrophenol
CID 170499805
4-(4-chlorobut-1-enyl)-2-nitrophenol
CID 170499602

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol?
The IUPAC name of 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol (CID 170498109) is 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol.
What is the SMILES notation for 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol?
The canonical SMILES for 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol is O=[N+]([O-])c1cc(C=CCCBr)cc(F)c1O.
What is the InChIKey of 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol?
The InChIKey is VUHYCDQJCNHSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrFNO3/c11-4-2-1-3-7-5-8(12)10(14)9(6-7)13(15)16/h1,3,5-6,14H,2,4H2.
What are the key properties of 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol?
4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol has a molecular weight of 290.09 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromobut-1-enyl)-2-fluoro-6-nitrophenol is sourced from PubChem (CID 170498109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).