2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan

C11H5F4NO4 — CID 168528621

IUPAC2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan
SMILESO=[N+]([O-])c1ccc(-c2ccco2)c(OC(F)(F)F)c1F
InChIInChI=1S/C11H5F4NO4/c12-9-7(16(17)18)4-3-6(8-2-1-5-19-8)10(9)20-11(13,14)15/h1-5H
InChIKeyPGDWZUMQHQFBLQ-UHFFFAOYSA-N
MW291.16 g/mol
LogP3.89
Rot. Bonds3

About 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan

2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan (PubChem CID 168528621) has the molecular formula C11H5F4NO4 and a molecular weight of 291.16 g/mol. Its IUPAC name is 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan.

Molecular Properties

Compound Name2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan
PubChem CID168528621
Molecular FormulaC11H5F4NO4
Molecular Weight291.16 g/mol
Exact Mass291.02
IUPAC Name2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan
SMILESO=[N+]([O-])c1ccc(-c2ccco2)c(OC(F)(F)F)c1F
InChIInChI=1S/C11H5F4NO4/c12-9-7(16(17)18)4-3-6(8-2-1-5-19-8)10(9)20-11(13,14)15/h1-5H
InChIKeyPGDWZUMQHQFBLQ-UHFFFAOYSA-N
XLogP3.89
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.16
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-fluoro-6-(furan-2-yl)-3-nitrobenzoate
CID 168526633
2-[2-nitro-5-(trifluoromethyl)phenyl]furan
CID 168526595
2-fluoro-3-methyl-1-nitro-4-(trifluoromethoxy)benzene
CID 134620278
4-(furan-2-yl)-3-nitrophenol
CID 168528827
2-[2-fluoro-5-(trifluoromethoxy)phenyl]furan
CID 168524951
3-[3-fluoro-4-nitro-2-(trifluoromethoxy)anilino]propane-1,2-diol
CID 168593945
2-(4-bromo-2,3-difluoro-6-nitrophenyl)furan
CID 168526917
2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
2-[2-methoxy-4-(trifluoromethoxy)phenyl]furan
CID 168525707
3-nitro-4-(trifluoromethoxy)quinoline
CID 19034873
2-[3-nitro-4-(2,2,2-trifluoroethoxy)phenyl]furan
CID 168527002
6-formyl-3-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969878

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan?
The IUPAC name of 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan (CID 168528621) is 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan.
What is the SMILES notation for 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan?
The canonical SMILES for 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan is O=[N+]([O-])c1ccc(-c2ccco2)c(OC(F)(F)F)c1F.
What is the InChIKey of 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan?
The InChIKey is PGDWZUMQHQFBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F4NO4/c12-9-7(16(17)18)4-3-6(8-2-1-5-19-8)10(9)20-11(13,14)15/h1-5H.
What are the key properties of 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan?
2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan has a molecular weight of 291.16 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan is sourced from PubChem (CID 168528621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).