(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone

C17H14F2O — CID 82823016

IUPAC(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2Cc3ccccc3C2)c1F
InChIInChI=1S/C17H14F2O/c1-10-6-7-14(18)15(16(10)19)17(20)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3
InChIKeyXESZJYCLZLGZBH-UHFFFAOYSA-N
MW272.29 g/mol
LogP3.87
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone

(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (PubChem CID 82823016) has the molecular formula C17H14F2O and a molecular weight of 272.29 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
PubChem CID82823016
Molecular FormulaC17H14F2O
Molecular Weight272.29 g/mol
Exact Mass272.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone
SMILESCc1ccc(F)c(C(=O)C2Cc3ccccc3C2)c1F
InChIInChI=1S/C17H14F2O/c1-10-6-7-14(18)15(16(10)19)17(20)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3
InChIKeyXESZJYCLZLGZBH-UHFFFAOYSA-N
XLogP3.87
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone (CID 82823016) is (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is Cc1ccc(F)c(C(=O)C2Cc3ccccc3C2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
The InChIKey is XESZJYCLZLGZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2O/c1-10-6-7-14(18)15(16(10)19)17(20)13-8-11-4-2-3-5-12(11)9-13/h2-7,13H,8-9H2,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone?
(2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone has a molecular weight of 272.29 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(2,3-dihydro-1H-inden-2-yl)methanone is sourced from PubChem (CID 82823016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).