1-fluoro-4-iodo-2-nitrobenzene

C6H3FINO2 — CID 14590582

IUPAC1-fluoro-4-iodo-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(I)ccc1F
InChIInChI=1S/C6H3FINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKeyKUJTZQXHTBKAMO-UHFFFAOYSA-N
MW267.00 g/mol
LogP2.34
Rot. Bonds1

About 1-fluoro-4-iodo-2-nitrobenzene

1-fluoro-4-iodo-2-nitrobenzene (PubChem CID 14590582) has the molecular formula C6H3FINO2 and a molecular weight of 267.00 g/mol. Its IUPAC name is 1-fluoro-4-iodo-2-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-4-iodo-2-nitrobenzene
PubChem CID14590582
Molecular FormulaC6H3FINO2
Molecular Weight267.00 g/mol
Exact Mass266.92
IUPAC Name1-fluoro-4-iodo-2-nitrobenzene
SMILESO=[N+]([O-])c1cc(I)ccc1F
InChIInChI=1S/C6H3FINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H
InChIKeyKUJTZQXHTBKAMO-UHFFFAOYSA-N
XLogP2.34
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.00
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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

1-fluoro-4-iodo-2-nitrobenzene;4-iodo-1-(2-methoxyethoxy)-2-nitrobenzene
CID 158839893
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
4-bromo-1-fluoro-2-(4-iodo-2-nitrophenoxy)benzene
CID 114673280
1-fluoro-4-methylsulfanyl-2-nitrobenzene
CID 18509240
4-fluoro-3-nitrobenzenediazonium
CID 10901209
4-fluoro-N-methyl-3-nitroaniline
CID 63089505
(4-fluoro-3-nitrophenyl)-methoxymethanol
CID 174484275
1-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)-2-nitrobenzene
CID 131953291
1-fluoro-4-(3-fluorophenyl)-2-nitrobenzene
CID 46312637
1-(4-fluoro-3-nitrophenyl)-N-methylmethanimine
CID 13349118
1-(4-fluoro-3-nitrophenyl)ethanamine
CID 55283100
2-(4-fluoro-3-nitrophenyl)ethanamine;hydrochloride
CID 178200982

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-iodo-2-nitrobenzene?
The IUPAC name of 1-fluoro-4-iodo-2-nitrobenzene (CID 14590582) is 1-fluoro-4-iodo-2-nitrobenzene.
What is the SMILES notation for 1-fluoro-4-iodo-2-nitrobenzene?
The canonical SMILES for 1-fluoro-4-iodo-2-nitrobenzene is O=[N+]([O-])c1cc(I)ccc1F.
What is the InChIKey of 1-fluoro-4-iodo-2-nitrobenzene?
The InChIKey is KUJTZQXHTBKAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H.
What are the key properties of 1-fluoro-4-iodo-2-nitrobenzene?
1-fluoro-4-iodo-2-nitrobenzene has a molecular weight of 267.00 g/mol, XLogP of 2.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-iodo-2-nitrobenzene is sourced from PubChem (CID 14590582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).