2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan

C17H10F3NO4 — CID 168527468

IUPAC2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan
SMILESO=[N+]([O-])c1cc(Oc2cccc(C(F)(F)F)c2)cc(-c2ccco2)c1
InChIInChI=1S/C17H10F3NO4/c18-17(19,20)12-3-1-4-14(9-12)25-15-8-11(16-5-2-6-24-16)7-13(10-15)21(22)23/h1-10H
InChIKeyUXOKNERZNIJPKE-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.67
Rot. Bonds4

About 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan

2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan (PubChem CID 168527468) has the molecular formula C17H10F3NO4 and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan.

Molecular Properties

Compound Name2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan
PubChem CID168527468
Molecular FormulaC17H10F3NO4
Molecular Weight349.26 g/mol
Exact Mass349.06
IUPAC Name2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan
SMILESO=[N+]([O-])c1cc(Oc2cccc(C(F)(F)F)c2)cc(-c2ccco2)c1
InChIInChI=1S/C17H10F3NO4/c18-17(19,20)12-3-1-4-14(9-12)25-15-8-11(16-5-2-6-24-16)7-13(10-15)21(22)23/h1-10H
InChIKeyUXOKNERZNIJPKE-UHFFFAOYSA-N
XLogP5.67
TPSA65.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.67
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

1-methoxy-3-nitro-5-[3-(trifluoromethyl)phenoxy]benzene
CID 166074049
2-[3-(2,3-dihydro-1H-inden-5-yloxy)-5-nitrophenyl]furan
CID 168526840
1-(3-methylphenoxy)-3-nitro-5-(trifluoromethyl)benzene
CID 139243131
5-nitro-2-[3-(trifluoromethyl)phenoxy]aniline
CID 62507654
1-(diaminomethylidene)-2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]guanidine
CID 168604617
1-(4-methoxyphenoxy)-3-nitro-5-(trifluoromethyl)benzene
CID 155317218
1-chloro-3-[3-nitro-5-[3-(trifluoromethyl)phenoxy]anilino]propan-2-ol
CID 168639544
4-methyl-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372317
3-(5-methylpyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide
CID 19570036
1,3-bis(3-nitrophenyl)-5-[3-(trifluoromethyl)phenyl]benzene
CID 141365870
5-nitro-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]-1H-pyrazole-3-carboxamide
CID 135803268
benzyl 2-methyl-2-[3-[3-nitro-5-(trifluoromethyl)phenoxy]phenyl]propanoate
CID 118876007

Frequently Asked Questions

What is the IUPAC name of 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan?
The IUPAC name of 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan (CID 168527468) is 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan.
What is the SMILES notation for 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan?
The canonical SMILES for 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan is O=[N+]([O-])c1cc(Oc2cccc(C(F)(F)F)c2)cc(-c2ccco2)c1.
What is the InChIKey of 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan?
The InChIKey is UXOKNERZNIJPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F3NO4/c18-17(19,20)12-3-1-4-14(9-12)25-15-8-11(16-5-2-6-24-16)7-13(10-15)21(22)23/h1-10H.
What are the key properties of 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan?
2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan has a molecular weight of 349.26 g/mol, XLogP of 5.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]furan is sourced from PubChem (CID 168527468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).