5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

C22H22F4O — CID 139848575

IUPAC5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCc1ccc(C2CCc3c(ccc(OC(F)(F)F)c3F)C2)cc1
InChIInChI=1S/C22H22F4O/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)27-22(24,25)26/h2-3,6-9,11,13,17H,4-5,10,12,14H2,1H3/b3-2+
InChIKeyZLSCUQNHJFXVQR-NSCUHMNNSA-N
MW378.41 g/mol
LogP6.51
Rot. Bonds5

About 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene

5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848575) has the molecular formula C22H22F4O and a molecular weight of 378.41 g/mol. Its IUPAC name is 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
PubChem CID139848575
Molecular FormulaC22H22F4O
Molecular Weight378.41 g/mol
Exact Mass378.16
IUPAC Name5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
SMILESC/C=C/CCc1ccc(C2CCc3c(ccc(OC(F)(F)F)c3F)C2)cc1
InChIInChI=1S/C22H22F4O/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)27-22(24,25)26/h2-3,6-9,11,13,17H,4-5,10,12,14H2,1H3/b3-2+
InChIKeyZLSCUQNHJFXVQR-NSCUHMNNSA-N
XLogP6.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.41
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene 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

2-[3-fluoro-4-(trifluoromethoxy)phenyl]-7-[(E)-pent-3-enyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045098
5,7-difluoro-2-[2-fluoro-4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847938
2-(4-butyl-2,6-difluorophenyl)-5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848680
5-fluoro-2-(2-fluoro-4-hexylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848029
2-(4-but-3-enylphenyl)-7-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847963
2-(2,6-difluoro-4-heptylphenyl)-5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849351
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-7-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848307
6-butyl-1-fluoro-2-[5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849545
5,7-difluoro-2-(4-pentylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849085
2-[2,6-difluoro-4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139847863
2-[(E)-prop-1-enyl]-7-[4-(trifluoromethoxy)phenyl]-1,2,3,4,5,6,7,8-octahydrophenanthrene
CID 22045203
2-[4-[(E)-pent-3-enyl]phenyl]-6-(4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853671

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene (CID 139848575) is 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is C/C=C/CCc1ccc(C2CCc3c(ccc(OC(F)(F)F)c3F)C2)cc1.
What is the InChIKey of 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is ZLSCUQNHJFXVQR-NSCUHMNNSA-N. The full InChI is InChI=1S/C22H22F4O/c1-2-3-4-5-15-6-8-16(9-7-15)17-10-12-19-18(14-17)11-13-20(21(19)23)27-22(24,25)26/h2-3,6-9,11,13,17H,4-5,10,12,14H2,1H3/b3-2+.
What are the key properties of 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene?
5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 378.41 g/mol, XLogP of 6.51, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).