1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene

C22H16F6 — CID 139856237

IUPAC1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene
SMILESC/C=C/CCc1ccc(-c2cc(F)c3c(F)c(C(F)(F)F)c(F)cc3c2)cc1
InChIInChI=1S/C22H16F6/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16-12-18(24)20(22(26,27)28)21(25)19(16)17(23)11-15/h2-3,6-12H,4-5H2,1H3/b3-2+
InChIKeyDLALQFGLKMFBQI-NSCUHMNNSA-N
MW394.36 g/mol
LogP7.45
Rot. Bonds4

About 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene

1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene (PubChem CID 139856237) has the molecular formula C22H16F6 and a molecular weight of 394.36 g/mol. Its IUPAC name is 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene.

Molecular Properties

Compound Name1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene
PubChem CID139856237
Molecular FormulaC22H16F6
Molecular Weight394.36 g/mol
Exact Mass394.12
IUPAC Name1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene
SMILESC/C=C/CCc1ccc(-c2cc(F)c3c(F)c(C(F)(F)F)c(F)cc3c2)cc1
InChIInChI=1S/C22H16F6/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16-12-18(24)20(22(26,27)28)21(25)19(16)17(23)11-15/h2-3,6-12H,4-5H2,1H3/b3-2+
InChIKeyDLALQFGLKMFBQI-NSCUHMNNSA-N
XLogP7.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.36
LogP ≤ 57.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139855763
1,3-difluoro-5-(4-pent-3-enylphenyl)-2-(2,2,2-trifluoroethoxy)benzene
CID 139764142
1,3-difluoro-5-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)benzene
CID 88998789
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097
2-[2-[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]-3,5-difluorophenyl]ethyl]-1,3-difluoro-5-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 90180081
1,3-difluoro-5-[2-fluoro-4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]-2-(trifluoromethyl)benzene
CID 144975618
6-(4-ethylphenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847368
2-but-3-enyl-6-[4-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 68533355
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
3-[2,6-difluoro-4-(4-pent-3-enylphenyl)phenyl]prop-2-ynenitrile
CID 91132965
2-[2-[3,5-difluoro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-1-fluoro-6-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139873466
4-[3-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzenethiol
CID 129130534

Frequently Asked Questions

What is the IUPAC name of 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene?
The IUPAC name of 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene (CID 139856237) is 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene.
What is the SMILES notation for 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene?
The canonical SMILES for 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene is C/C=C/CCc1ccc(-c2cc(F)c3c(F)c(C(F)(F)F)c(F)cc3c2)cc1.
What is the InChIKey of 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene?
The InChIKey is DLALQFGLKMFBQI-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H16F6/c1-2-3-4-5-13-6-8-14(9-7-13)15-10-16-12-18(24)20(22(26,27)28)21(25)19(16)17(23)11-15/h2-3,6-12H,4-5H2,1H3/b3-2+.
What are the key properties of 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene?
1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene has a molecular weight of 394.36 g/mol, XLogP of 7.45, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,8-trifluoro-6-[4-[(E)-pent-3-enyl]phenyl]-2-(trifluoromethyl)naphthalene is sourced from PubChem (CID 139856237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).