3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene

C18H21F5 — CID 134457069

IUPAC3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
SMILESCCCC1CCC(C2Cc3cc(F)c(F)c(F)c3C2(F)F)CC1
InChIInChI=1S/C18H21F5/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14(19)16(20)17(21)15(12)18(13,22)23/h9-11,13H,2-8H2,1H3
InChIKeyXXTXKFKMKJXCOF-UHFFFAOYSA-N
MW332.36 g/mol
LogP5.97
Rot. Bonds3

About 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene

3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene (PubChem CID 134457069) has the molecular formula C18H21F5 and a molecular weight of 332.36 g/mol. Its IUPAC name is 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene.

Molecular Properties

Compound Name3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
PubChem CID134457069
Molecular FormulaC18H21F5
Molecular Weight332.36 g/mol
Exact Mass332.16
IUPAC Name3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene
SMILESCCCC1CCC(C2Cc3cc(F)c(F)c(F)c3C2(F)F)CC1
InChIInChI=1S/C18H21F5/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14(19)16(20)17(21)15(12)18(13,22)23/h9-11,13H,2-8H2,1H3
InChIKeyXXTXKFKMKJXCOF-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.36
LogP ≤ 55.97
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

3,3,4,5-tetrafluoro-6-methyl-2-[4-(4-methylcyclohexyl)cyclohexyl]-1,2-dihydroindene
CID 126591053
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
4,5,6-trifluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 141089582
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
methane;molecular hydrogen;3,3,4,5-tetrafluoro-2-(4-methylcyclohexyl)-1,2-dihydroindene
CID 161136541
4-fluoro-2-(4-propylcyclohexyl)spiro[1,2-dihydrocyclopenta[b]naphthalene-3,2'-1,3-dithiane]
CID 58995735
1,2-difluoro-3-methyl-5-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 71202451
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
3,3,4,5-tetrafluoro-1-(4-propylcyclohexyl)-1,2-dihydroindene
CID 121479932
6-(4-propylcyclohexyl)-2-(3,4,5-trifluorophenyl)spiro[3.3]heptan-2-ol
CID 19387599
5,6,7-trifluoro-2-[6-(4-hexylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2,3,4-tetrahydronaphthalene
CID 139866393

Frequently Asked Questions

What is the IUPAC name of 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene?
The IUPAC name of 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene (CID 134457069) is 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene.
What is the SMILES notation for 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene?
The canonical SMILES for 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene is CCCC1CCC(C2Cc3cc(F)c(F)c(F)c3C2(F)F)CC1.
What is the InChIKey of 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene?
The InChIKey is XXTXKFKMKJXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F5/c1-2-3-10-4-6-11(7-5-10)13-8-12-9-14(19)16(20)17(21)15(12)18(13,22)23/h9-11,13H,2-8H2,1H3.
What are the key properties of 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene?
3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene has a molecular weight of 332.36 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,5,6-pentafluoro-2-(4-propylcyclohexyl)-1,2-dihydroindene is sourced from PubChem (CID 134457069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).