4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene

C19H16FNO — CID 89076921

IUPAC4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene
SMILESC=C(N=O)c1ccc2c(c1)C(c1ccccc1F)=C(C)CC2
InChIInChI=1S/C19H16FNO/c1-12-7-8-14-9-10-15(13(2)21-22)11-17(14)19(12)16-5-3-4-6-18(16)20/h3-6,9-11H,2,7-8H2,1H3
InChIKeyXGJQWDCBYLNNHT-UHFFFAOYSA-N
MW293.34 g/mol
LogP5.33
Rot. Bonds3

About 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene

4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene (PubChem CID 89076921) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene
PubChem CID89076921
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene
SMILESC=C(N=O)c1ccc2c(c1)C(c1ccccc1F)=C(C)CC2
InChIInChI=1S/C19H16FNO/c1-12-7-8-14-9-10-15(13(2)21-22)11-17(14)19(12)16-5-3-4-6-18(16)20/h3-6,9-11H,2,7-8H2,1H3
InChIKeyXGJQWDCBYLNNHT-UHFFFAOYSA-N
XLogP5.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.34
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene?
The IUPAC name of 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene (CID 89076921) is 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene is C=C(N=O)c1ccc2c(c1)C(c1ccccc1F)=C(C)CC2.
What is the InChIKey of 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene?
The InChIKey is XGJQWDCBYLNNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c1-12-7-8-14-9-10-15(13(2)21-22)11-17(14)19(12)16-5-3-4-6-18(16)20/h3-6,9-11H,2,7-8H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene?
4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene has a molecular weight of 293.34 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-3-methyl-6-(1-nitrosoethenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 89076921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).