1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone

C18H16F2O — CID 114974389

IUPAC1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C18H16F2O/c1-11-5-8-15(19)17(18(11)20)16(21)10-12-6-7-13-3-2-4-14(13)9-12/h5-9H,2-4,10H2,1H3
InChIKeyGOLDOAFRIKXTCI-UHFFFAOYSA-N
MW286.32 g/mol
LogP4.19
Rot. Bonds3

About 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone

1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone (PubChem CID 114974389) has the molecular formula C18H16F2O and a molecular weight of 286.32 g/mol. Its IUPAC name is 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
PubChem CID114974389
Molecular FormulaC18H16F2O
Molecular Weight286.32 g/mol
Exact Mass286.12
IUPAC Name1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
SMILESCc1ccc(F)c(C(=O)Cc2ccc3c(c2)CCC3)c1F
InChIInChI=1S/C18H16F2O/c1-11-5-8-15(19)17(18(11)20)16(21)10-12-6-7-13-3-2-4-14(13)9-12/h5-9H,2-4,10H2,1H3
InChIKeyGOLDOAFRIKXTCI-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-chloro-4-fluorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 103042811
2-(3,4-dichlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82814391
1-(2-bromo-6-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114885464
1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
2-(3,4-dimethylphenyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 63490239
2-(2,3-dihydro-1H-inden-5-yl)-1-(3,5-dimethylphenyl)ethanone
CID 114974381
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
1-(2,6-difluoro-3-methylphenyl)-2-(furan-3-yl)ethanone
CID 115795792
1-(3-chloro-5-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 114974435
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,6-difluoro-3-methylaniline
CID 82818653
N-(2-fluoro-5-methylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34749475
1-(3-chloro-2-fluorophenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64714500

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The IUPAC name of 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone (CID 114974389) is 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone.
What is the SMILES notation for 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The canonical SMILES for 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone is Cc1ccc(F)c(C(=O)Cc2ccc3c(c2)CCC3)c1F.
What is the InChIKey of 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
The InChIKey is GOLDOAFRIKXTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2O/c1-11-5-8-15(19)17(18(11)20)16(21)10-12-6-7-13-3-2-4-14(13)9-12/h5-9H,2-4,10H2,1H3.
What are the key properties of 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone?
1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone has a molecular weight of 286.32 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluoro-3-methylphenyl)-2-(2,3-dihydro-1H-inden-5-yl)ethanone is sourced from PubChem (CID 114974389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).