6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene

C21H16F4 — CID 139855517

IUPAC6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(C(F)(F)F)ccc3c2)cc1
InChIInChI=1S/C21H16F4/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-18-17(13-16)10-12-19(20(18)22)21(23,24)25/h2,5-13H,1,3-4H2
InChIKeyOXADLYULHVMYCB-UHFFFAOYSA-N
MW344.35 g/mol
LogP6.78
Rot. Bonds4

About 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene

6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene (PubChem CID 139855517) has the molecular formula C21H16F4 and a molecular weight of 344.35 g/mol. Its IUPAC name is 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
PubChem CID139855517
Molecular FormulaC21H16F4
Molecular Weight344.35 g/mol
Exact Mass344.12
IUPAC Name6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(C(F)(F)F)ccc3c2)cc1
InChIInChI=1S/C21H16F4/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-18-17(13-16)10-12-19(20(18)22)21(23,24)25/h2,5-13H,1,3-4H2
InChIKeyOXADLYULHVMYCB-UHFFFAOYSA-N
XLogP6.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.35
LogP ≤ 56.78
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

6-(4-but-3-enylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139873017
4-(4-but-3-enylphenyl)-2-fluoro-1-(trifluoromethyl)benzene
CID 139764150
6-(4-but-3-enylphenyl)-1-fluoronaphthalene-2-carbonitrile
CID 139817636
6-but-3-enyl-1-fluoro-2-[3-fluoro-4-[2-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 87488663
6-(4-but-3-enylphenyl)-1-fluoro-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethynyl]naphthalene
CID 139850829
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 68533355
2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
CID 139863269
6-(4-but-3-enylphenyl)-2-[2-(4-butylphenyl)ethynyl]-1-fluoronaphthalene
CID 139876405
6-(4-but-3-enyl-2,6-difluorophenyl)-1-fluoro-2-[2-[4-(trifluoromethoxy)phenyl]ethyl]naphthalene
CID 139875498
6-[2-(4-but-3-enylphenyl)ethynyl]-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethynyl]-1-fluoronaphthalene
CID 139850659
4-[2-[6-(4-but-3-enylphenyl)-1-fluoronaphthalen-2-yl]ethyl]-2-fluorobenzonitrile
CID 139872494
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylphenyl)naphthalene
CID 139873971

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene?
The IUPAC name of 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene (CID 139855517) is 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene is C=CCCc1ccc(-c2ccc3c(F)c(C(F)(F)F)ccc3c2)cc1.
What is the InChIKey of 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene?
The InChIKey is OXADLYULHVMYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F4/c1-2-3-4-14-5-7-15(8-6-14)16-9-11-18-17(13-16)10-12-19(20(18)22)21(23,24)25/h2,5-13H,1,3-4H2.
What are the key properties of 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene?
6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene has a molecular weight of 344.35 g/mol, XLogP of 6.78, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139855517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).