2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone

C18H17FO — CID 106880824

IUPAC2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2Cc3ccccc3C2)c(F)c1
InChIInChI=1S/C18H17FO/c1-11-7-12(2)17(16(19)8-11)18(20)15-9-13-5-3-4-6-14(13)10-15/h3-8,15H,9-10H2,1-2H3
InChIKeyPGNGFCUEZRKONI-UHFFFAOYSA-N
MW268.33 g/mol
LogP4.04
Rot. Bonds2

About 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone

2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone (PubChem CID 106880824) has the molecular formula C18H17FO and a molecular weight of 268.33 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone
PubChem CID106880824
Molecular FormulaC18H17FO
Molecular Weight268.33 g/mol
Exact Mass268.13
IUPAC Name2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)C2Cc3ccccc3C2)c(F)c1
InChIInChI=1S/C18H17FO/c1-11-7-12(2)17(16(19)8-11)18(20)15-9-13-5-3-4-6-14(13)10-15/h3-8,15H,9-10H2,1-2H3
InChIKeyPGNGFCUEZRKONI-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 82823016
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
2,3-dihydro-1H-inden-2-yl-(4-fluoro-2-methylphenyl)methanone
CID 65406838
(3-bromo-5-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 106893022
(2-fluoro-4,6-dimethylphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097324
2,3-dihydro-1H-inden-2-yl-(5-methyl-2-nitrophenyl)methanone
CID 106893088
2,3-dihydro-1H-inden-2-yl-(2-methyl-1H-indol-3-yl)methanone
CID 106892541
N-(2,4-dimethylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112522893
2,3-dihydro-1H-inden-2-yl-(5-methylfuran-3-yl)methanone
CID 106893079
1-(2-fluoro-4,6-dimethylphenyl)propan-1-one
CID 106880723
(2-fluoro-4,6-dimethylphenyl)-(2,4,6-trifluorophenyl)methanone
CID 106883314
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone (CID 106880824) is 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone is Cc1cc(C)c(C(=O)C2Cc3ccccc3C2)c(F)c1.
What is the InChIKey of 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone?
The InChIKey is PGNGFCUEZRKONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FO/c1-11-7-12(2)17(16(19)8-11)18(20)15-9-13-5-3-4-6-14(13)10-15/h3-8,15H,9-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone?
2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone has a molecular weight of 268.33 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-2-yl-(2-fluoro-4,6-dimethylphenyl)methanone is sourced from PubChem (CID 106880824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).