1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene

C30H35F — CID 139848807

IUPAC1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
SMILESC/C=C/CCc1ccc2c(c1)CCC(c1ccc3cc(CCCCC)ccc3c1F)C2
InChIInChI=1S/C30H35F/c1-3-5-7-9-22-11-13-25-21-27(15-14-24(25)19-22)29-18-16-26-20-23(10-8-6-4-2)12-17-28(26)30(29)31/h3,5,11-13,16-20,27H,4,6-10,14-15,21H2,1-2H3/b5-3+
InChIKeyJUMURBDYPHCLFJ-HWKANZROSA-N
MW414.61 g/mol
LogP8.49
Rot. Bonds8

About 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene

1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene (PubChem CID 139848807) has the molecular formula C30H35F and a molecular weight of 414.61 g/mol. Its IUPAC name is 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene.

Molecular Properties

Compound Name1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
PubChem CID139848807
Molecular FormulaC30H35F
Molecular Weight414.61 g/mol
Exact Mass414.27
IUPAC Name1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
SMILESC/C=C/CCc1ccc2c(c1)CCC(c1ccc3cc(CCCCC)ccc3c1F)C2
InChIInChI=1S/C30H35F/c1-3-5-7-9-22-11-13-25-21-27(15-14-24(25)19-22)29-18-16-26-20-23(10-8-6-4-2)12-17-28(26)30(29)31/h3,5,11-13,16-20,27H,4,6-10,14-15,21H2,1-2H3/b5-3+
InChIKeyJUMURBDYPHCLFJ-HWKANZROSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
6-ethyl-1-fluoro-2-(6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849818
3-fluoro-6-(1-fluoro-6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849619
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
CID 139849606
1-fluoro-6-[(E)-pent-3-enyl]-2-[4-[(E)-pent-1-enyl]cyclohexyl]naphthalene
CID 139860894
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848861
2-(4-but-3-enyl-2-fluorophenyl)-6-butyl-1,2,3,4-tetrahydronaphthalene
CID 139848528
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
2-(4-butyl-2-fluorophenyl)-6-pent-3-enoxy-1,2,3,4-tetrahydronaphthalene
CID 139848315

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene?
The IUPAC name of 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene (CID 139848807) is 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene.
What is the SMILES notation for 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene?
The canonical SMILES for 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene is C/C=C/CCc1ccc2c(c1)CCC(c1ccc3cc(CCCCC)ccc3c1F)C2.
What is the InChIKey of 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene?
The InChIKey is JUMURBDYPHCLFJ-HWKANZROSA-N. The full InChI is InChI=1S/C30H35F/c1-3-5-7-9-22-11-13-25-21-27(15-14-24(25)19-22)29-18-16-26-20-23(10-8-6-4-2)12-17-28(26)30(29)31/h3,5,11-13,16-20,27H,4,6-10,14-15,21H2,1-2H3/b5-3+.
What are the key properties of 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene?
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene has a molecular weight of 414.61 g/mol, XLogP of 8.49, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene is sourced from PubChem (CID 139848807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).