6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene

C24H23F3 — CID 139849606

IUPAC6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
SMILESCCCCc1ccc2c(F)c(C3CCc4c(ccc(F)c4F)C3)ccc2c1
InChIInChI=1S/C24H23F3/c1-2-3-4-15-5-9-19-16(13-15)6-10-20(23(19)26)17-7-11-21-18(14-17)8-12-22(25)24(21)27/h5-6,8-10,12-13,17H,2-4,7,11,14H2,1H3
InChIKeyYFZHHUKNXFRVHZ-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.87
Rot. Bonds4

About 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene

6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene (PubChem CID 139849606) has the molecular formula C24H23F3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene.

Molecular Properties

Compound Name6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
PubChem CID139849606
Molecular FormulaC24H23F3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
SMILESCCCCc1ccc2c(F)c(C3CCc4c(ccc(F)c4F)C3)ccc2c1
InChIInChI=1S/C24H23F3/c1-2-3-4-15-5-9-19-16(13-15)6-10-20(23(19)26)17-7-11-21-18(14-17)8-12-22(25)24(21)27/h5-6,8-10,12-13,17H,2-4,7,11,14H2,1H3
InChIKeyYFZHHUKNXFRVHZ-UHFFFAOYSA-N
XLogP6.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene 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-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
6-butyl-1-fluoro-2-[5-fluoro-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849545
3-fluoro-6-(1-fluoro-6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849619
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
2-(2,6-difluoro-4-pentylphenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139847987
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848902
5,6,7-trifluoro-2-(2-fluoro-4-heptylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139848991
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411

Frequently Asked Questions

What is the IUPAC name of 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene?
The IUPAC name of 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene (CID 139849606) is 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene.
What is the SMILES notation for 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene?
The canonical SMILES for 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene is CCCCc1ccc2c(F)c(C3CCc4c(ccc(F)c4F)C3)ccc2c1.
What is the InChIKey of 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene?
The InChIKey is YFZHHUKNXFRVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3/c1-2-3-4-15-5-9-19-16(13-15)6-10-20(23(19)26)17-7-11-21-18(14-17)8-12-22(25)24(21)27/h5-6,8-10,12-13,17H,2-4,7,11,14H2,1H3.
What are the key properties of 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene?
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene has a molecular weight of 368.44 g/mol, XLogP of 6.87, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene is sourced from PubChem (CID 139849606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).