(2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one

C16H13FO2 — CID 134952106

IUPAC(2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(F)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H13FO2/c17-16(14(18)11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(16)19/h1-9,14,18H,10H2/t14-,16+/m0/s1
InChIKeySGERDICBMHGAPJ-GOEBONIOSA-N
MW256.28 g/mol
LogP2.87
Rot. Bonds2

About (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one

(2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one (PubChem CID 134952106) has the molecular formula C16H13FO2 and a molecular weight of 256.28 g/mol. Its IUPAC name is (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one.

Molecular Properties

Compound Name(2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one
PubChem CID134952106
Molecular FormulaC16H13FO2
Molecular Weight256.28 g/mol
Exact Mass256.09
IUPAC Name(2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one
SMILESO=C1c2ccccc2C[C@@]1(F)[C@@H](O)c1ccccc1
InChIInChI=1S/C16H13FO2/c17-16(14(18)11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(16)19/h1-9,14,18H,10H2/t14-,16+/m0/s1
InChIKeySGERDICBMHGAPJ-GOEBONIOSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 52.87
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-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one?
The IUPAC name of (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one (CID 134952106) is (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one.
What is the SMILES notation for (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one?
The canonical SMILES for (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one is O=C1c2ccccc2C[C@@]1(F)[C@@H](O)c1ccccc1.
What is the InChIKey of (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one?
The InChIKey is SGERDICBMHGAPJ-GOEBONIOSA-N. The full InChI is InChI=1S/C16H13FO2/c17-16(14(18)11-6-2-1-3-7-11)10-12-8-4-5-9-13(12)15(16)19/h1-9,14,18H,10H2/t14-,16+/m0/s1.
What are the key properties of (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one?
(2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one has a molecular weight of 256.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-[(S)-hydroxy(phenyl)methyl]-3H-inden-1-one is sourced from PubChem (CID 134952106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).