(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one

C10H8ClFO2 — CID 28819722

IUPAC(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1CC(=O)c2c(O)c(Cl)cc(F)c21
InChIInChI=1S/C10H8ClFO2/c1-4-2-7(13)9-8(4)6(12)3-5(11)10(9)14/h3-4,14H,2H2,1H3/t4-/m0/s1
InChIKeyYHSCBHAZNLOAQY-BYPYZUCNSA-N
MW214.62 g/mol
LogP2.87
Rot. Bonds

About (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one

(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one (PubChem CID 28819722) has the molecular formula C10H8ClFO2 and a molecular weight of 214.62 g/mol. Its IUPAC name is (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
PubChem CID28819722
Molecular FormulaC10H8ClFO2
Molecular Weight214.62 g/mol
Exact Mass214.02
IUPAC Name(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one
SMILESC[C@H]1CC(=O)c2c(O)c(Cl)cc(F)c21
InChIInChI=1S/C10H8ClFO2/c1-4-2-7(13)9-8(4)6(12)3-5(11)10(9)14/h3-4,14H,2H2,1H3/t4-/m0/s1
InChIKeyYHSCBHAZNLOAQY-BYPYZUCNSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.62
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one (CID 28819722) is (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one is C[C@H]1CC(=O)c2c(O)c(Cl)cc(F)c21.
What is the InChIKey of (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
The InChIKey is YHSCBHAZNLOAQY-BYPYZUCNSA-N. The full InChI is InChI=1S/C10H8ClFO2/c1-4-2-7(13)9-8(4)6(12)3-5(11)10(9)14/h3-4,14H,2H2,1H3/t4-/m0/s1.
What are the key properties of (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one?
(3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one has a molecular weight of 214.62 g/mol, XLogP of 2.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chloro-4-fluoro-7-hydroxy-3-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 28819722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).