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

C18H22F2O — CID 86035820

IUPAC6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
SMILESCCCC1CCC(C2Cc3ccc(F)c(F)c3C2=O)CC1
InChIInChI=1S/C18H22F2O/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14)21/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyDNKNLTHFKRBCKH-UHFFFAOYSA-N
MW292.37 g/mol
LogP4.93
Rot. Bonds3

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

6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one (PubChem CID 86035820) has the molecular formula C18H22F2O and a molecular weight of 292.37 g/mol. Its IUPAC name is 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
PubChem CID86035820
Molecular FormulaC18H22F2O
Molecular Weight292.37 g/mol
Exact Mass292.16
IUPAC Name6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
SMILESCCCC1CCC(C2Cc3ccc(F)c(F)c3C2=O)CC1
InChIInChI=1S/C18H22F2O/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14)21/h8-9,11-12,14H,2-7,10H2,1H3
InChIKeyDNKNLTHFKRBCKH-UHFFFAOYSA-N
XLogP4.93
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one
CID 58995698
3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene
CID 121479932
3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene
CID 71170857
6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 139853435
5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 122609107
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 58840200
6,7-difluoro-4-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 122523204
7-fluoro-5-methyl-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydroinden-1-one;7-fluoro-5-methyl-2-[4-(4-propylcyclohexyl)cyclohexyl]-1-(trifluoromethyl)-2,3-dihydroinden-1-ol;4-fluoro-6-methyl-2-[4-(4-propylcyclohexyl)cyclohexyl]-3-(trifluoromethyl)-1H-indene
CID 162247233
5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
CID 67818490
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
The IUPAC name of 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one (CID 86035820) is 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one is CCCC1CCC(C2Cc3ccc(F)c(F)c3C2=O)CC1.
What is the InChIKey of 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
The InChIKey is DNKNLTHFKRBCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F2O/c1-2-3-11-4-6-12(7-5-11)14-10-13-8-9-15(19)17(20)16(13)18(14)21/h8-9,11-12,14H,2-7,10H2,1H3.
What are the key properties of 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one?
6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one has a molecular weight of 292.37 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 86035820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).