6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one

C18H22F2O — CID 122523204

IUPAC6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
SMILESCCCC1CCC(c2cc(F)c(F)c3c2CCC3=O)CC1
InChIInChI=1S/C18H22F2O/c1-2-3-11-4-6-12(7-5-11)14-10-15(19)18(20)17-13(14)8-9-16(17)21/h10-12H,2-9H2,1H3
InChIKeyPCOWUEGXYRKKKZ-UHFFFAOYSA-N
MW292.37 g/mol
LogP5.17
Rot. Bonds3

About 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one

6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one (PubChem CID 122523204) has the molecular formula C18H22F2O and a molecular weight of 292.37 g/mol. Its IUPAC name is 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
PubChem CID122523204
Molecular FormulaC18H22F2O
Molecular Weight292.37 g/mol
Exact Mass292.16
IUPAC Name6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
SMILESCCCC1CCC(c2cc(F)c(F)c3c2CCC3=O)CC1
InChIInChI=1S/C18H22F2O/c1-2-3-11-4-6-12(7-5-11)14-10-15(19)18(20)17-13(14)8-9-16(17)21/h10-12H,2-9H2,1H3
InChIKeyPCOWUEGXYRKKKZ-UHFFFAOYSA-N
XLogP5.17
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
2-[2,3-difluoro-4-(4-propylcyclohexyl)phenyl]cyclohexan-1-one
CID 54076959
2,6-difluoro-3-hydroxy-4-(4-propylcyclohexyl)benzonitrile
CID 58782896
6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 86035820
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
(3,4,5-trifluorophenyl) 2,3-difluoro-4-(4-propylcyclohexyl)benzoate
CID 118858603
1-[4-[difluoro-(3,4,5-trifluorophenoxy)methyl]cyclohexyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118601282
2,6-difluoro-4-(4-pentylcyclohexyl)-3-(3,4,5-trifluorophenyl)benzoic acid
CID 18410846
2,3-difluoro-1-propyl-4-(4-propylcyclohexyl)benzene
CID 19103623
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one (CID 122523204) is 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one is CCCC1CCC(c2cc(F)c(F)c3c2CCC3=O)CC1.
What is the InChIKey of 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
The InChIKey is PCOWUEGXYRKKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2O/c1-2-3-11-4-6-12(7-5-11)14-10-15(19)18(20)17-13(14)8-9-16(17)21/h10-12H,2-9H2,1H3.
What are the key properties of 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one has a molecular weight of 292.37 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 122523204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).