6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene

C23H34F2 — CID 139848305

IUPAC6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCC(CCC2CCc3cc(F)c(F)cc3C2)CC1
InChIInChI=1S/C23H34F2/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-13-20-15-22(24)23(25)16-21(20)14-19/h15-19H,2-14H2,1H3
InChIKeyHYLZWRPTNHSNGT-UHFFFAOYSA-N
MW348.52 g/mol
LogP7.24
Rot. Bonds7

About 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene

6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848305) has the molecular formula C23H34F2 and a molecular weight of 348.52 g/mol. Its IUPAC name is 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139848305
Molecular FormulaC23H34F2
Molecular Weight348.52 g/mol
Exact Mass348.26
IUPAC Name6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1CCC(CCC2CCc3cc(F)c(F)cc3C2)CC1
InChIInChI=1S/C23H34F2/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-13-20-15-22(24)23(25)16-21(20)14-19/h15-19H,2-14H2,1H3
InChIKeyHYLZWRPTNHSNGT-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.52
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-2-[2-(4-heptylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848617
2-[2-(4-pentylcyclohexyl)ethyl]-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 58840279
6-[2-(4-pentylcyclohexyl)ethyl]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 139877548
7-fluoro-6-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139864767
2-butyl-7-fluoro-6-(6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865070
7-fluoro-2-pentyl-6-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,2,3,4-tetrahydronaphthalene
CID 139865061
5,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848586
7-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849759
6-[2-(2,3-difluorophenyl)ethynyl]-7-fluoro-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139853249
6-(4-butylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 20500738
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
6-(6-but-3-enyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-7-fluoro-2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 139865128

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene (CID 139848305) is 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene is CCCCCC1CCC(CCC2CCc3cc(F)c(F)cc3C2)CC1.
What is the InChIKey of 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is HYLZWRPTNHSNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34F2/c1-2-3-4-5-17-6-8-18(9-7-17)10-11-19-12-13-20-15-22(24)23(25)16-21(20)14-19/h15-19H,2-14H2,1H3.
What are the key properties of 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene?
6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 348.52 g/mol, XLogP of 7.24, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).