2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene

C26H27F — CID 139848411

IUPAC2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1F)C2
InChIInChI=1S/C26H27F/c1-3-5-6-19-7-9-21-17-23(11-10-20(21)16-19)25-14-12-22-15-18(4-2)8-13-24(22)26(25)27/h3,7-9,12-16,23H,1,4-6,10-11,17H2,2H3
InChIKeyFOVZNSWXVSJPKP-UHFFFAOYSA-N
MW358.50 g/mol
LogP6.93
Rot. Bonds5

About 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene

2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene (PubChem CID 139848411) has the molecular formula C26H27F and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene.

Molecular Properties

Compound Name2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
PubChem CID139848411
Molecular FormulaC26H27F
Molecular Weight358.50 g/mol
Exact Mass358.21
IUPAC Name2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1F)C2
InChIInChI=1S/C26H27F/c1-3-5-6-19-7-9-21-17-23(11-10-20(21)16-19)25-14-12-22-15-18(4-2)8-13-24(22)26(25)27/h3,7-9,12-16,23H,1,4-6,10-11,17H2,2H3
InChIKeyFOVZNSWXVSJPKP-UHFFFAOYSA-N
XLogP6.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.50
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
2-(4-but-3-enyl-2,6-difluorophenyl)-6-ethyl-1,2,3,4-tetrahydronaphthalene
CID 139847826
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849818
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
2-(4-but-3-enylcyclohexyl)-6-ethyl-1-fluoronaphthalene
CID 139861557
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
6-but-3-enyl-2-(2,6-difluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139849868
2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
CID 139849606

Frequently Asked Questions

What is the IUPAC name of 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene?
The IUPAC name of 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene (CID 139848411) is 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene.
What is the SMILES notation for 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene?
The canonical SMILES for 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene is C=CCCc1ccc2c(c1)CCC(c1ccc3cc(CC)ccc3c1F)C2.
What is the InChIKey of 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene?
The InChIKey is FOVZNSWXVSJPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F/c1-3-5-6-19-7-9-21-17-23(11-10-20(21)16-19)25-14-12-22-15-18(4-2)8-13-24(22)26(25)27/h3,7-9,12-16,23H,1,4-6,10-11,17H2,2H3.
What are the key properties of 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene?
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene has a molecular weight of 358.50 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene is sourced from PubChem (CID 139848411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).