5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene

C23H26F4 — CID 139848991

IUPAC5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCc1ccc(C2CCc3c(cc(F)c(F)c3F)C2)c(F)c1
InChIInChI=1S/C23H26F4/c1-2-3-4-5-6-7-15-8-10-18(20(24)12-15)16-9-11-19-17(13-16)14-21(25)23(27)22(19)26/h8,10,12,14,16H,2-7,9,11,13H2,1H3
InChIKeyMPHAJYQOVKLSGW-UHFFFAOYSA-N
MW378.45 g/mol
LogP7.03
Rot. Bonds7

About 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene

5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 139848991) has the molecular formula C23H26F4 and a molecular weight of 378.45 g/mol. Its IUPAC name is 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID139848991
Molecular FormulaC23H26F4
Molecular Weight378.45 g/mol
Exact Mass378.20
IUPAC Name5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCc1ccc(C2CCc3c(cc(F)c(F)c3F)C2)c(F)c1
InChIInChI=1S/C23H26F4/c1-2-3-4-5-6-7-15-8-10-18(20(24)12-15)16-9-11-19-17(13-16)14-21(25)23(27)22(19)26/h8,10,12,14,16H,2-7,9,11,13H2,1H3
InChIKeyMPHAJYQOVKLSGW-UHFFFAOYSA-N
XLogP7.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 57.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-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

6-(2,3-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852820
5-fluoro-2-(2-fluoro-4-hexylphenyl)-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139848029
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852214
2-(4-butyl-2-fluorophenyl)-5,7,8-trifluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853695
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
2-(4-butyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848519
6-(3,4-difluorophenyl)-5,7-difluoro-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852100
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
7-fluoro-2-(2-fluoro-4-pentylphenyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852444
2-(2,6-difluoro-4-pentylphenyl)-5,7-difluoro-6-(3,4,5-trifluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853393
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552

Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene (CID 139848991) is 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene is CCCCCCCc1ccc(C2CCc3c(cc(F)c(F)c3F)C2)c(F)c1.
What is the InChIKey of 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is MPHAJYQOVKLSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F4/c1-2-3-4-5-6-7-15-8-10-18(20(24)12-15)16-9-11-19-17(13-16)14-21(25)23(27)22(19)26/h8,10,12,14,16H,2-7,9,11,13H2,1H3.
What are the key properties of 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene?
5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 378.45 g/mol, XLogP of 7.03, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139848991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).