3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene

C23H30F4 — CID 126591053

IUPAC3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
SMILESCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCC(C)CC3)CC1)C2
InChIInChI=1S/C23H30F4/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)19-12-18-11-14(2)21(24)22(25)20(18)23(19,26)27/h11,13,15-17,19H,3-10,12H2,1-2H3
InChIKeyRJVLMPYSMMZVRY-UHFFFAOYSA-N
MW382.49 g/mol
LogP7.17
Rot. Bonds2

About 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene

3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene (PubChem CID 126591053) has the molecular formula C23H30F4 and a molecular weight of 382.49 g/mol. Its IUPAC name is 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
PubChem CID126591053
Molecular FormulaC23H30F4
Molecular Weight382.49 g/mol
Exact Mass382.23
IUPAC Name3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
SMILESCc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCC(C)CC3)CC1)C2
InChIInChI=1S/C23H30F4/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)19-12-18-11-14(2)21(24)22(25)20(18)23(19,26)27/h11,13,15-17,19H,3-10,12H2,1-2H3
InChIKeyRJVLMPYSMMZVRY-UHFFFAOYSA-N
XLogP7.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

molecular hydrogen;bis(3,3,4,5-tetrafluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene);bis(3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene);3,3,4,5-tetrafluoro-6-methyl-2-(4-methylcyclohexyl)-1,2-dihydroindene;bis(3,3,4,5-tetrafluoro-2-(4-methylphenyl)-1,2-dihydroindene)
CID 161167767
3,3,4,5-tetrafluoro-2,6-dimethyl-1,2-dihydroindene
CID 59340809
methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene
CID 161136541
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene;ethane
CID 171813038
2-(4-cyclohexylcyclohexyl)-6-ethyl-3,3,4,5-tetrafluoro-1,2-dihydroindene
CID 156509665
(1,6,7-trifluoro-2,5-dimethyl-2,3-dihydroinden-1-yl)phosphane
CID 170248102
2-fluoro-1,3-dimethyl-5-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]benzene
CID 134509872
3-chloro-2-fluoro-1,5-dimethyl-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene
CID 158163043
4,6-difluoro-3,7-dimethoxydibenzofuran;4,6-difluoro-3,7-dimethyldibenzofuran;4,6-difluoro-3-methoxy-7-methyldibenzofuran;4,6-difluoro-3-methoxy-7-(trifluoromethyl)dibenzofuran;4,6-difluoro-3-methyl-7-(trifluoromethyl)dibenzofuran;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene;3,4,6-trifluoro-7-methoxydibenzofuran;3,4,6-trifluoro-7-methyldibenzofuran
CID 159164429
2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene
CID 59130054
3,3,4,5-tetrafluoro-6-methyl-2-[2-(1,1,7-trifluoro-2-methyl-2,3-dihydroinden-5-yl)ethyl]-1,2-dihydroindene
CID 138718579

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene?
The IUPAC name of 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene (CID 126591053) is 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene.
What is the SMILES notation for 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene?
The canonical SMILES for 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene is Cc1cc2c(c(F)c1F)C(F)(F)C(C1CCC(C3CCC(C)CC3)CC1)C2.
What is the InChIKey of 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene?
The InChIKey is RJVLMPYSMMZVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F4/c1-13-3-5-15(6-4-13)16-7-9-17(10-8-16)19-12-18-11-14(2)21(24)22(25)20(18)23(19,26)27/h11,13,15-17,19H,3-10,12H2,1-2H3.
What are the key properties of 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene?
3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene has a molecular weight of 382.49 g/mol, XLogP of 7.17, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene is sourced from PubChem (CID 126591053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).