3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene

C22H24F4 — CID 71170857

IUPAC3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene
SMILESCCCC1CCC(C2=C(F)C3=C(F)c4c(ccc(F)c4F)CC3C2)CC1
InChIInChI=1S/C22H24F4/c1-2-3-12-4-6-13(7-5-12)16-11-15-10-14-8-9-17(23)21(25)18(14)22(26)19(15)20(16)24/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyLEPHQWUQAMQFJL-UHFFFAOYSA-N
MW364.43 g/mol
LogP7.05
Rot. Bonds3

About 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene

3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene (PubChem CID 71170857) has the molecular formula C22H24F4 and a molecular weight of 364.43 g/mol. Its IUPAC name is 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene.

Molecular Properties

Compound Name3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene
PubChem CID71170857
Molecular FormulaC22H24F4
Molecular Weight364.43 g/mol
Exact Mass364.18
IUPAC Name3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene
SMILESCCCC1CCC(C2=C(F)C3=C(F)c4c(ccc(F)c4F)CC3C2)CC1
InChIInChI=1S/C22H24F4/c1-2-3-12-4-6-13(7-5-12)16-11-15-10-14-8-9-17(23)21(25)18(14)22(26)19(15)20(16)24/h8-9,12-13,15H,2-7,10-11H2,1H3
InChIKeyLEPHQWUQAMQFJL-UHFFFAOYSA-N
XLogP7.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.43
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(6-ethylspiro[3.3]heptan-2-yl)-3,4,5,6-tetrafluoro-9,9a-dihydro-1H-cyclopenta[b]naphthalene
CID 71170859
6,7-difluoro-2-(4-propylcyclohexyl)-2,3-dihydroinden-1-one
CID 86035820
1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
2,4-difluoro-1-(4-propylcyclohexyl)benzene
CID 20677019
1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848414
2-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849095
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-ethoxy-1,2,3,4-tetrahydronaphthalene
CID 139847867
6-(4-chlorophenyl)-5-fluoro-2-(4-propylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
CID 58840200
6,7-difluoro-2-(4-propylcyclohexyl)-1,4-dihydronaphthalene
CID 139961519
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propoxy-1,2,3,4-tetrahydronaphthalene
CID 139848448
1,3,4-trifluoro-2-methyl-5-(4-propylcyclohexyl)benzene
CID 18635056
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139849018

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
The IUPAC name of 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene (CID 71170857) is 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene.
What is the SMILES notation for 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
The canonical SMILES for 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene is CCCC1CCC(C2=C(F)C3=C(F)c4c(ccc(F)c4F)CC3C2)CC1.
What is the InChIKey of 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
The InChIKey is LEPHQWUQAMQFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F4/c1-2-3-12-4-6-13(7-5-12)16-11-15-10-14-8-9-17(23)21(25)18(14)22(26)19(15)20(16)24/h8-9,12-13,15H,2-7,10-11H2,1H3.
What are the key properties of 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene?
3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene has a molecular weight of 364.43 g/mol, XLogP of 7.05, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrafluoro-2-(4-propylcyclohexyl)-9,9a-dihydro-1H-cyclopenta[b]naphthalene is sourced from PubChem (CID 71170857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).