3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene

C20H18F4 — CID 139961465

IUPAC3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
SMILESCCCCC1=Cc2cc(F)c(-c3cc(F)c(F)c(F)c3)cc2CC1
InChIInChI=1S/C20H18F4/c1-2-3-4-12-5-6-13-8-16(17(21)9-14(13)7-12)15-10-18(22)20(24)19(23)11-15/h7-11H,2-6H2,1H3
InChIKeyDETZYQYMLMBFNC-UHFFFAOYSA-N
MW334.36 g/mol
LogP6.43
Rot. Bonds4

About 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene

3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene (PubChem CID 139961465) has the molecular formula C20H18F4 and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
PubChem CID139961465
Molecular FormulaC20H18F4
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
SMILESCCCCC1=Cc2cc(F)c(-c3cc(F)c(F)c(F)c3)cc2CC1
InChIInChI=1S/C20H18F4/c1-2-3-4-12-5-6-13-8-16(17(21)9-14(13)7-12)15-10-18(22)20(24)19(23)11-15/h7-11H,2-6H2,1H3
InChIKeyDETZYQYMLMBFNC-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene 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

7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
2-butyl-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961543
6,8-difluoro-3-heptyl-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139952245
6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139961192
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961149
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
3-(4-butyl-2,6-difluorophenyl)-6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139961399
6-fluoro-7-(4-pentylcyclohexyl)-3-propyl-1,2-dihydronaphthalene
CID 139961393
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961103

Frequently Asked Questions

What is the IUPAC name of 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene?
The IUPAC name of 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene (CID 139961465) is 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene.
What is the SMILES notation for 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene?
The canonical SMILES for 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene is CCCCC1=Cc2cc(F)c(-c3cc(F)c(F)c(F)c3)cc2CC1.
What is the InChIKey of 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene?
The InChIKey is DETZYQYMLMBFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4/c1-2-3-4-12-5-6-13-8-16(17(21)9-14(13)7-12)15-10-18(22)20(24)19(23)11-15/h7-11H,2-6H2,1H3.
What are the key properties of 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene?
3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene has a molecular weight of 334.36 g/mol, XLogP of 6.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene is sourced from PubChem (CID 139961465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).