5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene

C15H12FNO2S — CID 80752960

IUPAC5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene
SMILESO=[N+]([O-])c1cc(F)cc(Sc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H12FNO2S/c16-12-7-13(17(18)19)9-15(8-12)20-14-5-4-10-2-1-3-11(10)6-14/h4-9H,1-3H2
InChIKeyMHJLYINGYVDIHI-UHFFFAOYSA-N
MW289.33 g/mol
LogP4.37
Rot. Bonds3

About 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene

5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene (PubChem CID 80752960) has the molecular formula C15H12FNO2S and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene
PubChem CID80752960
Molecular FormulaC15H12FNO2S
Molecular Weight289.33 g/mol
Exact Mass289.06
IUPAC Name5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene
SMILESO=[N+]([O-])c1cc(F)cc(Sc2ccc3c(c2)CCC3)c1
InChIInChI=1S/C15H12FNO2S/c16-12-7-13(17(18)19)9-15(8-12)20-14-5-4-10-2-1-3-11(10)6-14/h4-9H,1-3H2
InChIKeyMHJLYINGYVDIHI-UHFFFAOYSA-N
XLogP4.37
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 54.37
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'}

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Related Compounds

3-(3-fluorophenyl)sulfanyl-N-methyl-5-nitroaniline
CID 80894459
5-[(2-fluoro-3-nitrophenyl)methylsulfanyl]-2,3-dihydro-1H-indene
CID 107349678
4-fluoro-3-(3-fluoro-5-nitrophenyl)sulfanylbenzoic acid
CID 80549109
2-(3-fluoro-5-nitrophenyl)sulfanyl-1,3,4-thiadiazole
CID 80747907
2-(3-fluoro-5-nitrophenyl)sulfanyl-1,3-oxazole
CID 106923378
1-[4-(2,3-dihydro-1H-inden-5-ylsulfanyl)phenyl]ethanone
CID 43330702
1-cyclopentyl-5-(3-fluoro-5-nitrophenyl)sulfanyltetrazole
CID 80752567
5-(3-fluoro-5-nitrophenyl)sulfanyl-1,3-dimethylpyrazole
CID 80747908
1-(3-fluoro-5-nitrophenyl)pyrrolidine
CID 22636164
1-nitro-4-(4-nitrophenyl)sulfanylbenzene
CID 14655
2-chloro-4-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluoropyrimidine
CID 79075917
2-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-5-fluorophenyl]ethanamine
CID 63820160

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene?
The IUPAC name of 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene (CID 80752960) is 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene.
What is the SMILES notation for 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene?
The canonical SMILES for 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene is O=[N+]([O-])c1cc(F)cc(Sc2ccc3c(c2)CCC3)c1.
What is the InChIKey of 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene?
The InChIKey is MHJLYINGYVDIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2S/c16-12-7-13(17(18)19)9-15(8-12)20-14-5-4-10-2-1-3-11(10)6-14/h4-9H,1-3H2.
What are the key properties of 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene?
5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene has a molecular weight of 289.33 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-5-nitrophenyl)sulfanyl-2,3-dihydro-1H-indene is sourced from PubChem (CID 80752960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).