2-[2-nitro-5-(trifluoromethyl)phenyl]furan

C11H6F3NO3 — CID 168526595

IUPAC2-[2-nitro-5-(trifluoromethyl)phenyl]furan
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-3-4-9(15(16)17)8(6-7)10-2-1-5-18-10/h1-6H
InChIKeyLAKHJQOGBKMCGS-UHFFFAOYSA-N
MW257.17 g/mol
LogP3.87
Rot. Bonds2

About 2-[2-nitro-5-(trifluoromethyl)phenyl]furan

2-[2-nitro-5-(trifluoromethyl)phenyl]furan (PubChem CID 168526595) has the molecular formula C11H6F3NO3 and a molecular weight of 257.17 g/mol. Its IUPAC name is 2-[2-nitro-5-(trifluoromethyl)phenyl]furan.

Molecular Properties

Compound Name2-[2-nitro-5-(trifluoromethyl)phenyl]furan
PubChem CID168526595
Molecular FormulaC11H6F3NO3
Molecular Weight257.17 g/mol
Exact Mass257.03
IUPAC Name2-[2-nitro-5-(trifluoromethyl)phenyl]furan
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C11H6F3NO3/c12-11(13,14)7-3-4-9(15(16)17)8(6-7)10-2-1-5-18-10/h1-6H
InChIKeyLAKHJQOGBKMCGS-UHFFFAOYSA-N
XLogP3.87
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.17
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

2-[2-fluoro-4-(trifluoromethyl)phenyl]furan
CID 168524503
1,3,5-trichloro-2-[2-nitro-5-(trifluoromethyl)phenyl]benzene
CID 134621035
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]pyrrolidine
CID 168524729
2-[2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)phenyl]furan
CID 168528176
2-[3-fluoro-4-nitro-2-(trifluoromethoxy)phenyl]furan
CID 168528621
1-nitro-2-[3-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)benzene
CID 134621037
4-(furan-2-yl)-3-nitrophenol
CID 168528827
2-(furan-2-yl)-5-nitrobenzenethiol
CID 168527831
1-[2-(furan-2-yl)-4-(trifluoromethyl)phenyl]-4-methylpiperazine
CID 168525964
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
2-(difluoromethyl)-1-nitro-4-(trifluoromethyl)benzene
CID 46311752
2-[2-bromo-3-fluoro-5-(trifluoromethyl)phenyl]furan
CID 168526241

Frequently Asked Questions

What is the IUPAC name of 2-[2-nitro-5-(trifluoromethyl)phenyl]furan?
The IUPAC name of 2-[2-nitro-5-(trifluoromethyl)phenyl]furan (CID 168526595) is 2-[2-nitro-5-(trifluoromethyl)phenyl]furan.
What is the SMILES notation for 2-[2-nitro-5-(trifluoromethyl)phenyl]furan?
The canonical SMILES for 2-[2-nitro-5-(trifluoromethyl)phenyl]furan is O=[N+]([O-])c1ccc(C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 2-[2-nitro-5-(trifluoromethyl)phenyl]furan?
The InChIKey is LAKHJQOGBKMCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3NO3/c12-11(13,14)7-3-4-9(15(16)17)8(6-7)10-2-1-5-18-10/h1-6H.
What are the key properties of 2-[2-nitro-5-(trifluoromethyl)phenyl]furan?
2-[2-nitro-5-(trifluoromethyl)phenyl]furan has a molecular weight of 257.17 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-nitro-5-(trifluoromethyl)phenyl]furan is sourced from PubChem (CID 168526595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).