5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol

C17H22FNO2 — CID 143367569

IUPAC5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol
SMILESCNO.Cc1ccccc1O.Fc1ccc2c(c1)CCC2
InChIInChI=1S/C9H9F.C7H8O.CH5NO/c10-9-5-4-7-2-1-3-8(7)6-9;1-6-4-2-3-5-7(6)8;1-2-3/h4-6H,1-3H2;2-5,8H,1H3;2-3H,1H3
InChIKeySJTPNODREVAYFX-UHFFFAOYSA-N
MW291.37 g/mol
LogP3.61
Rot. Bonds

About 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol

5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol (PubChem CID 143367569) has the molecular formula C17H22FNO2 and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol.

Molecular Properties

Compound Name5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol
PubChem CID143367569
Molecular FormulaC17H22FNO2
Molecular Weight291.37 g/mol
Exact Mass291.16
IUPAC Name5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol
SMILESCNO.Cc1ccccc1O.Fc1ccc2c(c1)CCC2
InChIInChI=1S/C9H9F.C7H8O.CH5NO/c10-9-5-4-7-2-1-3-8(7)6-9;1-6-4-2-3-5-7(6)8;1-2-3/h4-6H,1-3H2;2-5,8H,1H3;2-3H,1H3
InChIKeySJTPNODREVAYFX-UHFFFAOYSA-N
XLogP3.61
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydro-1H-inden-5-yl-(4-fluoro-2-methylphenyl)methanone
CID 113399939
cyclohexane;2-methylphenol
CID 70504255
4-(2,3-dihydro-1H-inden-5-yl)-2-methylphenol
CID 166178430
4-fluoro-2-methylphenol;zirconium
CID 174391374
5-fluoro-2-methylphenol
CID 2774616
ethane;2-methylphenol
CID 54326461
2,3-dihydro-1H-inden-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877016
5-(4-fluorophenyl)-2,3-dihydro-1H-indene
CID 141092237
(4S)-7-fluoro-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 137495957
5-(3-fluorophenyl)-2,3-dihydro-1H-indene
CID 54342765
methanamine;2-methylphenol
CID 19359053
hydrazine;2-methylphenol
CID 174667823

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol?
The IUPAC name of 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol (CID 143367569) is 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol.
What is the SMILES notation for 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol?
The canonical SMILES for 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol is CNO.Cc1ccccc1O.Fc1ccc2c(c1)CCC2.
What is the InChIKey of 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol?
The InChIKey is SJTPNODREVAYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F.C7H8O.CH5NO/c10-9-5-4-7-2-1-3-8(7)6-9;1-6-4-2-3-5-7(6)8;1-2-3/h4-6H,1-3H2;2-5,8H,1H3;2-3H,1H3.
What are the key properties of 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol?
5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol has a molecular weight of 291.37 g/mol, XLogP of 3.61, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dihydro-1H-indene;N-methylhydroxylamine;2-methylphenol is sourced from PubChem (CID 143367569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).