8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene

C21H29F — CID 139960593

IUPAC8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene
SMILESCCCCCC1CCC(C2=Cc3cccc(F)c3CC2)CC1
InChIInChI=1S/C21H29F/c1-2-3-4-6-16-9-11-17(12-10-16)18-13-14-20-19(15-18)7-5-8-21(20)22/h5,7-8,15-17H,2-4,6,9-14H2,1H3
InChIKeyVYGGTLKAHVUEJA-UHFFFAOYSA-N
MW300.46 g/mol
LogP6.54
Rot. Bonds5

About 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene

8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene (PubChem CID 139960593) has the molecular formula C21H29F and a molecular weight of 300.46 g/mol. Its IUPAC name is 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene
PubChem CID139960593
Molecular FormulaC21H29F
Molecular Weight300.46 g/mol
Exact Mass300.23
IUPAC Name8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene
SMILESCCCCCC1CCC(C2=Cc3cccc(F)c3CC2)CC1
InChIInChI=1S/C21H29F/c1-2-3-4-6-16-9-11-17(12-10-16)18-13-14-20-19(15-18)7-5-8-21(20)22/h5,7-8,15-17H,2-4,6,9-14H2,1H3
InChIKeyVYGGTLKAHVUEJA-UHFFFAOYSA-N
XLogP6.54
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.46
LogP ≤ 56.54
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

1,3-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 54557681
3-(4-pentylcyclohexyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139951864
7-(2,3-difluorophenyl)-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960552
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960499
2-decyl-1,3-difluoro-5-[4-(4-hexylcyclohexyl)cyclohexa-1,3-dien-1-yl]benzene
CID 19005660
7-(3,4-difluorophenyl)-3-(4-ethylcyclohexyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960320
1,3-difluoro-5-[4-(4-hexylcyclohexyl)cyclohexa-1,3-dien-1-yl]-2-octylbenzene
CID 19005572
2-(2-fluorophenyl)-6-(4-pentylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837197
1-fluoro-4-(4-tridecylcyclohexyl)benzene
CID 20560903
1-fluoro-4-(4-octylcyclohexyl)benzene
CID 20560899
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
6,7,8-trifluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139952238

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene?
The IUPAC name of 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene (CID 139960593) is 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene?
The canonical SMILES for 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene is CCCCCC1CCC(C2=Cc3cccc(F)c3CC2)CC1.
What is the InChIKey of 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene?
The InChIKey is VYGGTLKAHVUEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F/c1-2-3-4-6-16-9-11-17(12-10-16)18-13-14-20-19(15-18)7-5-8-21(20)22/h5,7-8,15-17H,2-4,6,9-14H2,1H3.
What are the key properties of 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene?
8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene has a molecular weight of 300.46 g/mol, XLogP of 6.54, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-pentylcyclohexyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139960593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).