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

C77H105F9O2 — CID 162247233

IUPAC7-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
SMILESCCCC1CCC(C2CCC(C3=C(C(F)(F)F)c4c(F)cc(C)cc4C3)CC2)CC1.CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3(O)C(F)(F)F)CC2)CC1.CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3=O)CC2)CC1
InChIInChI=1S/C26H36F4O.C26H34F4.C25H35FO/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(27)24(21)25(22,31)26(28,29)30;1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(27)24(21)25(22)26(28,29)30;1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(26)24(21)25(22)27/h13-14,17-20,22,31H,3-12,15H2,1-2H3;13-14,17-20H,3-12,15H2,1-2H3;13-14,17-20,22H,3-12,15H2,1-2H3
InChIKeyZXMQWNWDTLZQSP-UHFFFAOYSA-N
MW1233.67 g/mol
LogP22.79
Rot. Bonds12

About 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

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 (PubChem CID 162247233) has the molecular formula C77H105F9O2 and a molecular weight of 1233.67 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID162247233
Molecular FormulaC77H105F9O2
Molecular Weight1233.67 g/mol
Exact Mass1232.80
IUPAC Name7-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
SMILESCCCC1CCC(C2CCC(C3=C(C(F)(F)F)c4c(F)cc(C)cc4C3)CC2)CC1.CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3(O)C(F)(F)F)CC2)CC1.CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3=O)CC2)CC1
InChIInChI=1S/C26H36F4O.C26H34F4.C25H35FO/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(27)24(21)25(22,31)26(28,29)30;1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(27)24(21)25(22)26(28,29)30;1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(26)24(21)25(22)27/h13-14,17-20,22,31H,3-12,15H2,1-2H3;13-14,17-20H,3-12,15H2,1-2H3;13-14,17-20,22H,3-12,15H2,1-2H3
InChIKeyZXMQWNWDTLZQSP-UHFFFAOYSA-N
XLogP22.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001233.67
LogP ≤ 522.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 86035820
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
6,7-difluoro-2-(4-propylcyclohexyl)-1,2-dihydrocyclopenta[b]naphthalen-3-one
CID 58995698
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
4-fluoro-1-[4-(4-propylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139880265
4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 141089582
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
1,3-difluoro-2-(fluoromethyl)-5-[4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]cyclohexyl]benzene
CID 70821004
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexa-2,4-dien-1-one
CID 163558622
2,3-difluoro-1-methyl-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 118965765
1-methyl-3-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 143444546
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCC1CCC(C2CCC(C3=C(C(F)(F)F)c4c(F)cc(C)cc4C3)CC2)CC1.CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3(O)C(F)(F)F)CC2)CC1.CCCC1CCC(C2CCC(C3Cc4cc(C)cc(F)c4C3=O)CC2)CC1.
What is the InChIKey of 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?
The InChIKey is ZXMQWNWDTLZQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36F4O.C26H34F4.C25H35FO/c1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(27)24(21)25(22,31)26(28,29)30;1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(27)24(21)25(22)26(28,29)30;1-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)22-15-21-13-16(2)14-23(26)24(21)25(22)27/h13-14,17-20,22,31H,3-12,15H2,1-2H3;13-14,17-20H,3-12,15H2,1-2H3;13-14,17-20,22H,3-12,15H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 1233.67 g/mol, XLogP of 22.79, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 162247233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).