1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene

C16H14FNO2 — CID 67773637

IUPAC1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene
SMILESCc1c(F)cccc1C/C(=C/c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C16H14FNO2/c1-12-14(8-5-9-16(12)17)11-15(18(19)20)10-13-6-3-2-4-7-13/h2-10H,11H2,1H3/b15-10-
InChIKeySLBDMLXAJABWJW-GDNBJRDFSA-N
MW271.29 g/mol
LogP3.99
Rot. Bonds4

About 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene

1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene (PubChem CID 67773637) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene.

Molecular Properties

Compound Name1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene
PubChem CID67773637
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene
SMILESCc1c(F)cccc1C/C(=C/c1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C16H14FNO2/c1-12-14(8-5-9-16(12)17)11-15(18(19)20)10-13-6-3-2-4-7-13/h2-10H,11H2,1H3/b15-10-
InChIKeySLBDMLXAJABWJW-GDNBJRDFSA-N
XLogP3.99
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.99
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'}

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Related Compounds

1,2-difluoro-3-(2-nitro-3-phenylprop-1-enyl)benzene
CID 77004199
2-fluoro-1-methoxy-4-(2-nitro-3-phenylprop-1-enyl)benzene
CID 77055557
1-(difluoromethyl)-3-[(E)-2-nitro-3-phenylprop-1-enyl]benzene
CID 115528222
1-chloro-3-(2-nitro-3-phenylprop-1-enyl)benzene
CID 76948604
[(E)-4,4-bis(benzenesulfonyl)-2-nitrobut-1-enyl]benzene
CID 71712705
2-nitroprop-1-enylbenzene
CID 12807
1-[(Z)-4,4-bis(benzenesulfonyl)-2-nitrobut-1-enyl]-4-fluorobenzene
CID 102582957
1-[(E)-4,4-bis(benzenesulfonyl)-2-nitrobut-1-enyl]-4-fluorobenzene
CID 71712850
2-[(E)-3-(4-ethylphenyl)-2-nitroprop-2-enyl]-1,4-dimethylbenzene
CID 135016876
[(Z)-2-chloro-2-nitroethenyl]benzene
CID 10877784
1-fluoro-2-(2-nitrobut-1-enylsulfanyl)benzene
CID 139607990
2-fluoro-4-[(Z)-2-nitrobut-1-enyl]phenol
CID 107693509

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene?
The IUPAC name of 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene (CID 67773637) is 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene.
What is the SMILES notation for 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene?
The canonical SMILES for 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene is Cc1c(F)cccc1C/C(=C/c1ccccc1)[N+](=O)[O-].
What is the InChIKey of 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene?
The InChIKey is SLBDMLXAJABWJW-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-12-14(8-5-9-16(12)17)11-15(18(19)20)10-13-6-3-2-4-7-13/h2-10H,11H2,1H3/b15-10-.
What are the key properties of 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene?
1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene has a molecular weight of 271.29 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methyl-3-[(Z)-2-nitro-3-phenylprop-2-enyl]benzene is sourced from PubChem (CID 67773637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).