methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene

C17H24F4 — CID 161136541

IUPACmethane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene
SMILESC.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.[H][H]
InChIInChI=1S/C16H18F4.CH4.H2/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;;/h6-7,9-10,12H,2-5,8H2,1H3;1H4;1H
InChIKeyUMWJQRZIFXKUJQ-UHFFFAOYSA-N
MW304.37 g/mol
LogP5.94
Rot. Bonds1

About methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene

methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene (PubChem CID 161136541) has the molecular formula C17H24F4 and a molecular weight of 304.37 g/mol. Its IUPAC name is methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene.

Molecular Properties

Compound Namemethane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene
PubChem CID161136541
Molecular FormulaC17H24F4
Molecular Weight304.37 g/mol
Exact Mass304.18
IUPAC Namemethane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene
SMILESC.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.[H][H]
InChIInChI=1S/C16H18F4.CH4.H2/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;;/h6-7,9-10,12H,2-5,8H2,1H3;1H4;1H
InChIKeyUMWJQRZIFXKUJQ-UHFFFAOYSA-N
XLogP5.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.37
LogP ≤ 55.94
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
2-(4-ethenylcyclohexyl)-3,3,4,5-tetrafluoro-1,2-dihydroindene
CID 90946866
3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
CID 126591053
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
5,6-difluoro-2-[6-(4-methylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139869718
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
CID 134457069
5,6-difluoro-2-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 122609107
2-[4-(4-ethenylcyclohexyl)cyclohexyl]-3,3,4-trifluoro-1,2-dihydroindene
CID 156509672
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-fluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]benzene;methane;molecular hydrogen
CID 160545349
2,2-difluoro-3-(4-methylcyclohexyl)-7-(4-methylphenyl)-3,4-dihydrochromene
CID 59130054

Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene?
The IUPAC name of methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene (CID 161136541) is methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene.
What is the SMILES notation for methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene?
The canonical SMILES for methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene is C.CC1CCC(C2Cc3ccc(F)c(F)c3C2(F)F)CC1.[H][H].
What is the InChIKey of methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene?
The InChIKey is UMWJQRZIFXKUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F4.CH4.H2/c1-9-2-4-10(5-3-9)12-8-11-6-7-13(17)15(18)14(11)16(12,19)20;;/h6-7,9-10,12H,2-5,8H2,1H3;1H4;1H.
What are the key properties of methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene?
methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene has a molecular weight of 304.37 g/mol, XLogP of 5.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene is sourced from PubChem (CID 161136541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).