2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene

C19H29FO2S — CID 59549855

IUPAC2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)CC(F)C2
InChIInChI=1S/C19H29FO2S/c1-15(2)23(21,22)11-7-5-3-4-6-8-16-9-10-17-13-19(20)14-18(17)12-16/h9-10,12,15,19H,3-8,11,13-14H2,1-2H3
InChIKeyQJRNULYSALIYCT-UHFFFAOYSA-N
MW340.50 g/mol
LogP4.44
Rot. Bonds9

About 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene

2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene (PubChem CID 59549855) has the molecular formula C19H29FO2S and a molecular weight of 340.50 g/mol. Its IUPAC name is 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene.

Molecular Properties

Compound Name2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
PubChem CID59549855
Molecular FormulaC19H29FO2S
Molecular Weight340.50 g/mol
Exact Mass340.19
IUPAC Name2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)CC(F)C2
InChIInChI=1S/C19H29FO2S/c1-15(2)23(21,22)11-7-5-3-4-6-8-16-9-10-17-13-19(20)14-18(17)12-16/h9-10,12,15,19H,3-8,11,13-14H2,1-2H3
InChIKeyQJRNULYSALIYCT-UHFFFAOYSA-N
XLogP4.44
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.50
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-7-propan-2-ylsulfonylheptan-2-one
CID 58144512
2-(2-fluoro-2,3-dihydro-1H-inden-5-yl)-1-[4-(propan-2-ylsulfonylmethyl)phenyl]ethanone
CID 58145705
2-fluoro-1-methoxy-4-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748742
2-methyl-5-[2-[4-(propan-2-ylsulfonylmethyl)phenyl]ethyl]-2,3-dihydro-1H-indene
CID 159263769
N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
CID 59545884
1-methyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]piperazine
CID 59545521
2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614788
(2S,6R)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]morpholine
CID 59546337
5-(7-propan-2-ylsulfonylheptyl)-1,2,3,4-tetrahydronaphthalene
CID 59545922
1-cyclohexyl-2-[3-(7-propan-2-ylsulfonylheptyl)phenyl]ethanone
CID 160600744
5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole
CID 158606349
methyl 4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]butanoate
CID 59546172

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?
The IUPAC name of 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene (CID 59549855) is 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene.
What is the SMILES notation for 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?
The canonical SMILES for 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene is CC(C)S(=O)(=O)CCCCCCCc1ccc2c(c1)CC(F)C2.
What is the InChIKey of 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?
The InChIKey is QJRNULYSALIYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FO2S/c1-15(2)23(21,22)11-7-5-3-4-6-8-16-9-10-17-13-19(20)14-18(17)12-16/h9-10,12,15,19H,3-8,11,13-14H2,1-2H3.
What are the key properties of 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene?
2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene has a molecular weight of 340.50 g/mol, XLogP of 4.44, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene is sourced from PubChem (CID 59549855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).