2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene

C15H10F3NO2 — CID 171364975

IUPAC2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1/C=C/c1ccccc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-9-8-12(14(10-13)19(20)21)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChIKeyLTSJBCVXBZVIPI-VOTSOKGWSA-N
MW293.24 g/mol
LogP4.78
Rot. Bonds3

About 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene

2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene (PubChem CID 171364975) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
PubChem CID171364975
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1cc(C(F)(F)F)ccc1/C=C/c1ccccc1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-9-8-12(14(10-13)19(20)21)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+
InChIKeyLTSJBCVXBZVIPI-VOTSOKGWSA-N
XLogP4.78
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[2-nitro-4-(trifluoromethyl)phenyl]but-3-en-1-ol
CID 170477477
(E)-4-[2-nitro-4-(trifluoromethyl)phenyl]but-3-ene-1,2-diol
CID 18757543
(E)-N-[2,6-dinitro-4-(trifluoromethyl)phenyl]-3-phenylprop-2-enamide
CID 6141173
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
1,2-dimethoxy-4-nitro-5-[(E)-2-phenylethenyl]benzene
CID 101203170
1-nitro-2,3-bis(2-phenylethenyl)benzene
CID 155903015
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
1-[(E)-2-phenylethenyl]-3-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 56950894
ethane;1-methyl-2-nitro-4-(trifluoromethyl)benzene
CID 142902784
2-(benzylideneamino)-6-nitro-4-(trifluoromethyl)aniline
CID 10870577
2-nitro-6-(2-phenylethenyl)phenol
CID 57159436
[2-nitro-4-(trifluoromethyl)phenyl]imino-triphenyl-λ5-phosphane
CID 4120894

Frequently Asked Questions

What is the IUPAC name of 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene (CID 171364975) is 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene is O=[N+]([O-])c1cc(C(F)(F)F)ccc1/C=C/c1ccccc1.
What is the InChIKey of 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
The InChIKey is LTSJBCVXBZVIPI-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)13-9-8-12(14(10-13)19(20)21)7-6-11-4-2-1-3-5-11/h1-10H/b7-6+.
What are the key properties of 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene?
2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene has a molecular weight of 293.24 g/mol, XLogP of 4.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-1-[(E)-2-phenylethenyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 171364975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).