(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one

C14H17FO2 — CID 134954828

IUPAC(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one
SMILESCC(C)(C)[C@@H](O)[C@]1(F)Cc2ccccc2C1=O
InChIInChI=1S/C14H17FO2/c1-13(2,3)12(17)14(15)8-9-6-4-5-7-10(9)11(14)16/h4-7,12,17H,8H2,1-3H3/t12-,14+/m1/s1
InChIKeyFSAUWTZADVXUIB-OCCSQVGLSA-N
MW236.29 g/mol
LogP2.54
Rot. Bonds1

About (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one

(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one (PubChem CID 134954828) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one.

Molecular Properties

Compound Name(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one
PubChem CID134954828
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one
SMILESCC(C)(C)[C@@H](O)[C@]1(F)Cc2ccccc2C1=O
InChIInChI=1S/C14H17FO2/c1-13(2,3)12(17)14(15)8-9-6-4-5-7-10(9)11(14)16/h4-7,12,17H,8H2,1-3H3/t12-,14+/m1/s1
InChIKeyFSAUWTZADVXUIB-OCCSQVGLSA-N
XLogP2.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one?
The IUPAC name of (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one (CID 134954828) is (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one.
What is the SMILES notation for (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one?
The canonical SMILES for (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one is CC(C)(C)[C@@H](O)[C@]1(F)Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one?
The InChIKey is FSAUWTZADVXUIB-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H17FO2/c1-13(2,3)12(17)14(15)8-9-6-4-5-7-10(9)11(14)16/h4-7,12,17H,8H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one?
(2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one has a molecular weight of 236.29 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-[(1R)-1-hydroxy-2,2-dimethylpropyl]-3H-inden-1-one is sourced from PubChem (CID 134954828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).