7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one

C18H16F2N2O3 — CID 159198294

IUPAC7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(F)c1[N+](=O)[O-].Cc1cc2cccc(F)c2[nH]1
InChIInChI=1S/C9H8FNO3.C9H8FN/c1-6(12)5-7-3-2-4-8(10)9(7)11(13)14;1-6-5-7-3-2-4-8(10)9(7)11-6/h2-4H,5H2,1H3;2-5,11H,1H3
InChIKeyKOYJPNHQGMXOKH-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.48
Rot. Bonds3

About 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one

7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one (PubChem CID 159198294) has the molecular formula C18H16F2N2O3 and a molecular weight of 346.33 g/mol. Its IUPAC name is 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one.

Molecular Properties

Compound Name7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one
PubChem CID159198294
Molecular FormulaC18H16F2N2O3
Molecular Weight346.33 g/mol
Exact Mass346.11
IUPAC Name7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one
SMILESCC(=O)Cc1cccc(F)c1[N+](=O)[O-].Cc1cc2cccc(F)c2[nH]1
InChIInChI=1S/C9H8FNO3.C9H8FN/c1-6(12)5-7-3-2-4-8(10)9(7)11(13)14;1-6-5-7-3-2-4-8(10)9(7)11-6/h2-4H,5H2,1H3;2-5,11H,1H3
InChIKeyKOYJPNHQGMXOKH-UHFFFAOYSA-N
XLogP4.48
TPSA76.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.48
H-Bond Donors ≤ 51
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-bromo-3-(3-fluoro-2-nitrophenyl)propan-2-one
CID 134616625
(3-fluoro-2-nitrophenyl)methanol
CID 57368636
ethyl 2-nitro-3-(2-oxopropyl)benzoate
CID 134642479
(3-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 131869126
bis(7-fluoro-1H-indol-2-yl)methanone
CID 152595291
1-(2-methyl-3-nitro-4-pyridinyl)propan-2-one
CID 21364026
1-(2-amino-3-fluorophenyl)propan-2-one
CID 59383493
1-(2-ethoxy-3-nitrophenyl)propan-2-one
CID 118824526
1-(3-fluoro-4-nitrophenyl)propan-2-one
CID 118807590
2-[2-methyl-3-(2-oxopropyl)phenyl]acetic acid
CID 134620938
1-fluoro-2-[(Z)-2-nitroprop-1-enyl]benzene;1-(2-fluorophenyl)propan-2-one;methane
CID 161362156
1-(2-fluoro-6-methylphenyl)propan-2-one
CID 84765067

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one?
The IUPAC name of 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one (CID 159198294) is 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one.
What is the SMILES notation for 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one?
The canonical SMILES for 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one is CC(=O)Cc1cccc(F)c1[N+](=O)[O-].Cc1cc2cccc(F)c2[nH]1.
What is the InChIKey of 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one?
The InChIKey is KOYJPNHQGMXOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3.C9H8FN/c1-6(12)5-7-3-2-4-8(10)9(7)11(13)14;1-6-5-7-3-2-4-8(10)9(7)11-6/h2-4H,5H2,1H3;2-5,11H,1H3.
What are the key properties of 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one?
7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one has a molecular weight of 346.33 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-1H-indole;1-(3-fluoro-2-nitrophenyl)propan-2-one is sourced from PubChem (CID 159198294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).