1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene

C15H11F2NO3 — CID 76948376

IUPAC1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene
SMILESO=[N+]([O-])C(=Cc1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C15H11F2NO3/c16-15(17)21-14-9-5-4-8-12(14)10-13(18(19)20)11-6-2-1-3-7-11/h1-10,15H
InChIKeyOQMGRTTVPYTBOG-UHFFFAOYSA-N
MW291.25 g/mol
LogP4.06
Rot. Bonds5

About 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene

1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene (PubChem CID 76948376) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene
PubChem CID76948376
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene
SMILESO=[N+]([O-])C(=Cc1ccccc1OC(F)F)c1ccccc1
InChIInChI=1S/C15H11F2NO3/c16-15(17)21-14-9-5-4-8-12(14)10-13(18(19)20)11-6-2-1-3-7-11/h1-10,15H
InChIKeyOQMGRTTVPYTBOG-UHFFFAOYSA-N
XLogP4.06
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 54.06
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

[(Z)-2-nitro-2-phenylethenyl]benzene
CID 2818500
3-[2-(difluoromethoxy)phenyl]-2-methylprop-2-enal
CID 79330784
(Z)-2-benzoyl-3-[2-(difluoromethoxy)phenyl]prop-2-enenitrile
CID 74766181
1-cyclopropyl-2-[(E)-2-nitro-2-phenylethenyl]benzene
CID 79971024
[2-(difluoromethoxy)phenyl]methylidene-hydroxy-methyl-oxo-λ6-sulfane
CID 91805708
4-(2-nitro-2-phenylethenyl)aniline
CID 54368133
(E)-4-[2-(difluoromethoxy)phenyl]-3-methylbut-3-en-2-amine
CID 103091905
N-[[2-(difluoromethoxy)-5-nitrophenyl]methylideneamino]benzamide
CID 3325601
2-chloro-1-methoxy-4-(2-nitro-2-phenylethenyl)benzene
CID 77052850
3-[2-(difluoromethoxy)phenyl]prop-2-enamide
CID 169482051
(E)-3-[2-(difluoromethoxy)phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
CID 6039064
1-(difluoromethoxy)-3-ethenyl-2-nitrobenzene
CID 118269421

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene (CID 76948376) is 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene is O=[N+]([O-])C(=Cc1ccccc1OC(F)F)c1ccccc1.
What is the InChIKey of 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene?
The InChIKey is OQMGRTTVPYTBOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-15(17)21-14-9-5-4-8-12(14)10-13(18(19)20)11-6-2-1-3-7-11/h1-10,15H.
What are the key properties of 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene?
1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene has a molecular weight of 291.25 g/mol, XLogP of 4.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-(2-nitro-2-phenylethenyl)benzene is sourced from PubChem (CID 76948376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).