(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one

C16H13FO — CID 134956870

IUPAC(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
SMILESCc1ccccc1[C@]1(F)Cc2ccccc2C1=O
InChIInChI=1S/C16H13FO/c1-11-6-2-5-9-14(11)16(17)10-12-7-3-4-8-13(12)15(16)18/h2-9H,10H2,1H3/t16-/m1/s1
InChIKeyFKGRBNXSRSVQKD-MRXNPFEDSA-N
MW240.28 g/mol
LogP3.60
Rot. Bonds1

About (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one

(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one (PubChem CID 134956870) has the molecular formula C16H13FO and a molecular weight of 240.28 g/mol. Its IUPAC name is (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one.

Molecular Properties

Compound Name(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
PubChem CID134956870
Molecular FormulaC16H13FO
Molecular Weight240.28 g/mol
Exact Mass240.10
IUPAC Name(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one
SMILESCc1ccccc1[C@]1(F)Cc2ccccc2C1=O
InChIInChI=1S/C16H13FO/c1-11-6-2-5-9-14(11)16(17)10-12-7-3-4-8-13(12)15(16)18/h2-9H,10H2,1H3/t16-/m1/s1
InChIKeyFKGRBNXSRSVQKD-MRXNPFEDSA-N
XLogP3.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-[difluoro(iodo)methyl]-2-methyl-3H-inden-1-one
CID 46831315
2-fluoro-2-(2-methylpropyl)-3H-inden-1-one
CID 59717541
2,2-bis(trifluoromethyl)-3H-inden-1-one
CID 10015841
(2S)-2-methyl-2-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-3H-inden-1-one
CID 138984515
3-fluoro-3-methyl-2H-inden-1-one
CID 122380797
2-methyl-2-nitroso-3H-inden-1-one
CID 86209895
2-(4-chlorophenyl)sulfanyl-2-fluoro-3H-inden-1-one
CID 86212326
2-azido-2-fluoro-3H-inden-1-one
CID 176914009
(2S,2'S)-2'-(2,4,6-trimethylphenyl)spiro[3H-indene-2,1'-cyclopropane]-1-one
CID 15473558
1-methyl-1-(2-methylphenyl)-3,4-dihydronaphthalen-2-one
CID 164527986
2,2-diethoxy-3H-inden-1-one
CID 11557601
(2S)-2-ethyl-2-fluoro-3,4-dihydronaphthalen-1-one
CID 10774110

Frequently Asked Questions

What is the IUPAC name of (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one?
The IUPAC name of (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one (CID 134956870) is (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one.
What is the SMILES notation for (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one?
The canonical SMILES for (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one is Cc1ccccc1[C@]1(F)Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one?
The InChIKey is FKGRBNXSRSVQKD-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H13FO/c1-11-6-2-5-9-14(11)16(17)10-12-7-3-4-8-13(12)15(16)18/h2-9H,10H2,1H3/t16-/m1/s1.
What are the key properties of (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one?
(2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one has a molecular weight of 240.28 g/mol, XLogP of 3.60, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-fluoro-2-(2-methylphenyl)-3H-inden-1-one is sourced from PubChem (CID 134956870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).