7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene

C23H23F3 — CID 139861725

IUPAC7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene
SMILESCCCCCc1cc2ccc(-c3ccc(CC)cc3)c(F)c2c(F)c1F
InChIInChI=1S/C23H23F3/c1-3-5-6-7-18-14-17-12-13-19(16-10-8-15(4-2)9-11-16)22(25)20(17)23(26)21(18)24/h8-14H,3-7H2,1-2H3
InChIKeySDFZVDTTXMZJED-UHFFFAOYSA-N
MW356.43 g/mol
LogP7.22
Rot. Bonds6

About 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene

7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene (PubChem CID 139861725) has the molecular formula C23H23F3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene.

Molecular Properties

Compound Name7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene
PubChem CID139861725
Molecular FormulaC23H23F3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene
SMILESCCCCCc1cc2ccc(-c3ccc(CC)cc3)c(F)c2c(F)c1F
InChIInChI=1S/C23H23F3/c1-3-5-6-7-18-14-17-12-13-19(16-10-8-15(4-2)9-11-16)22(25)20(17)23(26)21(18)24/h8-14H,3-7H2,1-2H3
InChIKeySDFZVDTTXMZJED-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.43
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene 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

1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 22960039
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
2-(4-ethylphenyl)-1-fluoro-6-[2-(4-hexylphenyl)ethynyl]naphthalene
CID 139877520
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1,4-bis(4-pentylphenyl)benzene;2,3-difluoro-1-methyl-4-[4-(4-pentylphenyl)phenyl]benzene;2,3-difluoro-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 91519277
1-(4-butylphenyl)-4-(4-ethylphenyl)-2,3-difluorobenzene;1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;1-(4-ethylphenyl)-2,3-difluoro-4-(4-propylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-pentylphenyl)benzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 165099168
8-fluoro-7-[4-(4-heptylphenyl)phenyl]-3-octylisochromen-1-one
CID 134191179
1-[4-(2,3-difluoro-4-methylphenyl)phenyl]-2,3-difluoro-4-pentylbenzene
CID 146536354
2,3-difluoro-1-(2-fluoro-4-nonylphenyl)-4-(4-nonylphenyl)benzene
CID 10768709
3-but-2-enoxy-1,2,8-trifluoro-7-(4-pentylphenyl)naphthalene
CID 139860746

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene?
The IUPAC name of 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene (CID 139861725) is 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene.
What is the SMILES notation for 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene?
The canonical SMILES for 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene is CCCCCc1cc2ccc(-c3ccc(CC)cc3)c(F)c2c(F)c1F.
What is the InChIKey of 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene?
The InChIKey is SDFZVDTTXMZJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3/c1-3-5-6-7-18-14-17-12-13-19(16-10-8-15(4-2)9-11-16)22(25)20(17)23(26)21(18)24/h8-14H,3-7H2,1-2H3.
What are the key properties of 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene?
7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene has a molecular weight of 356.43 g/mol, XLogP of 7.22, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethylphenyl)-1,2,8-trifluoro-3-pentylnaphthalene is sourced from PubChem (CID 139861725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).