6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene

C24H35F — CID 139961393

IUPAC6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
SMILESCCCCCC1CCC(c2cc3c(cc2F)C=C(CCC)CC3)CC1
InChIInChI=1S/C24H35F/c1-3-5-6-8-18-9-12-20(13-10-18)23-16-21-14-11-19(7-4-2)15-22(21)17-24(23)25/h15-18,20H,3-14H2,1-2H3
InChIKeyQKMMEQBXWUYOGW-UHFFFAOYSA-N
MW342.54 g/mol
LogP7.81
Rot. Bonds7

About 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene

6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene (PubChem CID 139961393) has the molecular formula C24H35F and a molecular weight of 342.54 g/mol. Its IUPAC name is 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
PubChem CID139961393
Molecular FormulaC24H35F
Molecular Weight342.54 g/mol
Exact Mass342.27
IUPAC Name6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
SMILESCCCCCC1CCC(c2cc3c(cc2F)C=C(CCC)CC3)CC1
InChIInChI=1S/C24H35F/c1-3-5-6-8-18-9-12-20(13-10-18)23-16-21-14-11-19(7-4-2)15-22(21)17-24(23)25/h15-18,20H,3-14H2,1-2H3
InChIKeyQKMMEQBXWUYOGW-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.54
LogP ≤ 57.81
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

3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961149
1-(4-butylcyclohexyl)-4-ethoxy-2,5-difluorobenzene
CID 19103605
6,8-difluoro-7-(4-fluorophenyl)-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139952031
3-[2,3-difluoro-4-(4-pentylcyclohexyl)phenyl]-6-fluoro-1,2-dihydronaphthalene
CID 139961413
2-fluoro-1-[4-(4-nonylcyclohexyl)cyclohexyl]-4-(trifluoromethyl)benzene
CID 139779219
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
8-fluoro-7-(4-pent-3-enylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
CID 139960471
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
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
2-fluoro-1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 118136052

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene?
The IUPAC name of 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene (CID 139961393) is 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene.
What is the SMILES notation for 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene?
The canonical SMILES for 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene is CCCCCC1CCC(c2cc3c(cc2F)C=C(CCC)CC3)CC1.
What is the InChIKey of 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene?
The InChIKey is QKMMEQBXWUYOGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35F/c1-3-5-6-8-18-9-12-20(13-10-18)23-16-21-14-11-19(7-4-2)15-22(21)17-24(23)25/h15-18,20H,3-14H2,1-2H3.
What are the key properties of 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene?
6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene has a molecular weight of 342.54 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139961393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).