2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene

C22H25F — CID 139862169

IUPAC2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc2cc(C3CCC(C=C)CC3)ccc2c1F
InChIInChI=1S/C22H25F/c1-3-5-6-18-11-12-20-15-19(13-14-21(20)22(18)23)17-9-7-16(4-2)8-10-17/h3-4,11-17H,1-2,5-10H2
InChIKeyXTFPCHVRXYOFTC-UHFFFAOYSA-N
MW308.44 g/mol
LogP6.56
Rot. Bonds5

About 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene

2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene (PubChem CID 139862169) has the molecular formula C22H25F and a molecular weight of 308.44 g/mol. Its IUPAC name is 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene.

Molecular Properties

Compound Name2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
PubChem CID139862169
Molecular FormulaC22H25F
Molecular Weight308.44 g/mol
Exact Mass308.19
IUPAC Name2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
SMILESC=CCCc1ccc2cc(C3CCC(C=C)CC3)ccc2c1F
InChIInChI=1S/C22H25F/c1-3-5-6-18-11-12-20-15-19(13-14-21(20)22(18)23)17-9-7-16(4-2)8-10-17/h3-4,11-17H,1-2,5-10H2
InChIKeyXTFPCHVRXYOFTC-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.44
LogP ≤ 56.56
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

2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807796
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-[(2R,4aR)-6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807793
2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139876914
3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139863503
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
6-[2-[4-(4-ethenylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876307
2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
CID 139863118
6-[4-(4-but-3-enylphenyl)cyclohexyl]-1,2,3-trifluoronaphthalene
CID 139847295
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
The IUPAC name of 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene (CID 139862169) is 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene.
What is the SMILES notation for 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
The canonical SMILES for 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene is C=CCCc1ccc2cc(C3CCC(C=C)CC3)ccc2c1F.
What is the InChIKey of 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
The InChIKey is XTFPCHVRXYOFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F/c1-3-5-6-18-11-12-20-15-19(13-14-21(20)22(18)23)17-9-7-16(4-2)8-10-17/h3-4,11-17H,1-2,5-10H2.
What are the key properties of 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene?
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene has a molecular weight of 308.44 g/mol, XLogP of 6.56, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene is sourced from PubChem (CID 139862169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).