4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene

C24H31F3 — CID 141089582

IUPAC4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
SMILESCCCC1CCC(C2CCC(C3=Cc4c(cc(F)c(F)c4F)C3)CC2)CC1
InChIInChI=1S/C24H31F3/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-20-14-22(25)24(27)23(26)21(20)13-19/h13-18H,2-12H2,1H3
InChIKeyZHUWGJJUCKHVKY-UHFFFAOYSA-N
MW376.51 g/mol
LogP7.46
Rot. Bonds4

About 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene

4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene (PubChem CID 141089582) has the molecular formula C24H31F3 and a molecular weight of 376.51 g/mol. Its IUPAC name is 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene.

Molecular Properties

Compound Name4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
PubChem CID141089582
Molecular FormulaC24H31F3
Molecular Weight376.51 g/mol
Exact Mass376.24
IUPAC Name4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
SMILESCCCC1CCC(C2CCC(C3=Cc4c(cc(F)c(F)c4F)C3)CC2)CC1
InChIInChI=1S/C24H31F3/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-20-14-22(25)24(27)23(26)21(20)13-19/h13-18H,2-12H2,1H3
InChIKeyZHUWGJJUCKHVKY-UHFFFAOYSA-N
XLogP7.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.51
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]aniline
CID 22731669
2-[chloro(difluoro)methyl]-1,3-difluoro-5-[4-[4-(4-propylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 20654099
(3,4,5-trifluorophenyl) 4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 22941168
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
CID 15389837
(3,4,5-trifluorophenyl) 2,6-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzoate
CID 59915717
2-(difluoromethyl)-1,3-difluoro-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 15041745
2-fluoro-1,3-dimethoxy-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 21263652
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509

Frequently Asked Questions

What is the IUPAC name of 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
The IUPAC name of 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene (CID 141089582) is 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene.
What is the SMILES notation for 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
The canonical SMILES for 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene is CCCC1CCC(C2CCC(C3=Cc4c(cc(F)c(F)c4F)C3)CC2)CC1.
What is the InChIKey of 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
The InChIKey is ZHUWGJJUCKHVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-20-14-22(25)24(27)23(26)21(20)13-19/h13-18H,2-12H2,1H3.
What are the key properties of 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene?
4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene has a molecular weight of 376.51 g/mol, XLogP of 7.46, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene is sourced from PubChem (CID 141089582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).