1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene

C14H10F3NO3 — CID 18551352

IUPAC1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)18(19)20/h1-8H,9H2
InChIKeyUEJOTBHVGBKGFT-UHFFFAOYSA-N
MW297.23 g/mol
LogP4.19
Rot. Bonds4

About 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene

1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene (PubChem CID 18551352) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene.

Molecular Properties

Compound Name1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
PubChem CID18551352
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
SMILESO=[N+]([O-])c1ccccc1OCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO3/c15-14(16,17)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)18(19)20/h1-8H,9H2
InChIKeyUEJOTBHVGBKGFT-UHFFFAOYSA-N
XLogP4.19
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 54.19
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

1-nitro-2-phenylmethoxy-4-(trifluoromethyl)benzene
CID 15054011
1-nitro-2-phenylmethoxy-4-[4-(trifluoromethyl)phenoxy]benzene
CID 142715940
1,2-difluoro-4-[(2-nitrophenoxy)methyl]benzene
CID 78797422
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
2-[[4-(trifluoromethyl)phenyl]methoxy]benzaldehyde
CID 60681232
4-[(2-nitrophenoxy)methyl]-1,2-oxazole
CID 71413295
1-[2-(2-nitrophenoxy)ethyl]-4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 55832746
2-nitro-6-[2-[[4-(trifluoromethyl)phenyl]methylamino]ethoxy]aniline
CID 23291462
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
CID 22625277
N-ethyl-5-[(2-nitrophenoxy)methyl]pyridin-2-amine
CID 62195082
(3-nitro-4-phenylmethoxyphenyl)methanamine
CID 43319706
4-bromo-1-[(4-tert-butylphenyl)methoxy]-2-nitrobenzene
CID 59820827

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The IUPAC name of 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene (CID 18551352) is 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene.
What is the SMILES notation for 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The canonical SMILES for 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene is O=[N+]([O-])c1ccccc1OCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
The InChIKey is UEJOTBHVGBKGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-14(16,17)11-7-5-10(6-8-11)9-21-13-4-2-1-3-12(13)18(19)20/h1-8H,9H2.
What are the key properties of 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene?
1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene has a molecular weight of 297.23 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene is sourced from PubChem (CID 18551352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).