[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite

C10H8F4O4S — CID 175168271

IUPAC[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite
SMILESCS(=O)(=O)c1ccc(OF)c2c1[C@H](O)C(F)(F)[C@@H]2F
InChIInChI=1S/C10H8F4O4S/c1-19(16,17)5-3-2-4(18-14)6-7(5)9(15)10(12,13)8(6)11/h2-3,8-9,15H,1H3/t8-,9+/m1/s1
InChIKeyBXRPEYHOWWTVJL-BDAKNGLRSA-N
MW300.23 g/mol
LogP2.05
Rot. Bonds2

About [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite

[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite (PubChem CID 175168271) has the molecular formula C10H8F4O4S and a molecular weight of 300.23 g/mol. Its IUPAC name is [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite.

Molecular Properties

Compound Name[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite
PubChem CID175168271
Molecular FormulaC10H8F4O4S
Molecular Weight300.23 g/mol
Exact Mass300.01
IUPAC Name[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite
SMILESCS(=O)(=O)c1ccc(OF)c2c1[C@H](O)C(F)(F)[C@@H]2F
InChIInChI=1S/C10H8F4O4S/c1-19(16,17)5-3-2-4(18-14)6-7(5)9(15)10(12,13)8(6)11/h2-3,8-9,15H,1H3/t8-,9+/m1/s1
InChIKeyBXRPEYHOWWTVJL-BDAKNGLRSA-N
XLogP2.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite?
The IUPAC name of [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite (CID 175168271) is [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite.
What is the SMILES notation for [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite?
The canonical SMILES for [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite is CS(=O)(=O)c1ccc(OF)c2c1[C@H](O)C(F)(F)[C@@H]2F.
What is the InChIKey of [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite?
The InChIKey is BXRPEYHOWWTVJL-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H8F4O4S/c1-19(16,17)5-3-2-4(18-14)6-7(5)9(15)10(12,13)8(6)11/h2-3,8-9,15H,1H3/t8-,9+/m1/s1.
What are the key properties of [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite?
[(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite has a molecular weight of 300.23 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-2,2,3-trifluoro-1-hydroxy-7-methylsulfonyl-1,3-dihydroinden-4-yl] hypofluorite is sourced from PubChem (CID 175168271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).