6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one

C22H24F2O — CID 58995698

IUPAC6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one
SMILESCCCC1CCC(C2Cc3cc4cc(F)c(F)cc4cc3C2=O)CC1
InChIInChI=1S/C22H24F2O/c1-2-3-13-4-6-14(7-5-13)18-10-17-8-15-11-20(23)21(24)12-16(15)9-19(17)22(18)25/h8-9,11-14,18H,2-7,10H2,1H3
InChIKeyIJTBBCOEJFHOQN-UHFFFAOYSA-N
MW342.43 g/mol
LogP6.08
Rot. Bonds3

About 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one

6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one (PubChem CID 58995698) has the molecular formula C22H24F2O and a molecular weight of 342.43 g/mol. Its IUPAC name is 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one.

Molecular Properties

Compound Name6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one
PubChem CID58995698
Molecular FormulaC22H24F2O
Molecular Weight342.43 g/mol
Exact Mass342.18
IUPAC Name6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one
SMILESCCCC1CCC(C2Cc3cc4cc(F)c(F)cc4cc3C2=O)CC1
InChIInChI=1S/C22H24F2O/c1-2-3-13-4-6-14(7-5-13)18-10-17-8-15-11-20(23)21(24)12-16(15)9-19(17)22(18)25/h8-9,11-14,18H,2-7,10H2,1H3
InChIKeyIJTBBCOEJFHOQN-UHFFFAOYSA-N
XLogP6.08
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.43
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 86035820
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
5-bromo-2-[4-(4-propylcyclohexyl)cyclohexyl]-2,3-dihydro-1H-indene
CID 67818490
1-(2-fluoroethyl)-4-(4-propylcyclohexyl)cyclohexane
CID 18344046
1-[4-(2-fluoroethyl)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexane
CID 18344057
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-fluoro-4-[(4-propylcyclohexyl)amino]benzoic acid
CID 115485237
4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 141089582
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

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one?
The IUPAC name of 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one (CID 58995698) is 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one.
What is the SMILES notation for 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one?
The canonical SMILES for 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one is CCCC1CCC(C2Cc3cc4cc(F)c(F)cc4cc3C2=O)CC1.
What is the InChIKey of 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one?
The InChIKey is IJTBBCOEJFHOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2O/c1-2-3-13-4-6-14(7-5-13)18-10-17-8-15-11-20(23)21(24)12-16(15)9-19(17)22(18)25/h8-9,11-14,18H,2-7,10H2,1H3.
What are the key properties of 6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one?
6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one has a molecular weight of 342.43 g/mol, XLogP of 6.08, 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)-1,2-dihydrocyclopenta[b]naphthalen-3-one is sourced from PubChem (CID 58995698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).