6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene

C25H17F5 — CID 139847336

IUPAC6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
SMILESCCCc1ccc(-c2cc(F)c(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H17F5/c1-2-3-14-4-7-18(21(27)10-14)17-12-22(28)24(23(29)13-17)16-5-8-19-15(11-16)6-9-20(26)25(19)30/h4-13H,2-3H2,1H3
InChIKeyFKBWBAPMPKUMAM-UHFFFAOYSA-N
MW412.40 g/mol
LogP7.82
Rot. Bonds4

About 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene

6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene (PubChem CID 139847336) has the molecular formula C25H17F5 and a molecular weight of 412.40 g/mol. Its IUPAC name is 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene.

Molecular Properties

Compound Name6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
PubChem CID139847336
Molecular FormulaC25H17F5
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Name6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
SMILESCCCc1ccc(-c2cc(F)c(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H17F5/c1-2-3-14-4-7-18(21(27)10-14)17-12-22(28)24(23(29)13-17)16-5-8-19-15(11-16)6-9-20(26)25(19)30/h4-13H,2-3H2,1H3
InChIKeyFKBWBAPMPKUMAM-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.40
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene 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-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
CID 139847195
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
6-[2-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139847057
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856403
8-fluoro-6-(2-fluoro-4-propylphenyl)naphthalen-2-ol
CID 139849957
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
CID 139846711
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139846752
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408

Frequently Asked Questions

What is the IUPAC name of 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene?
The IUPAC name of 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene (CID 139847336) is 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene.
What is the SMILES notation for 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene?
The canonical SMILES for 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene is CCCc1ccc(-c2cc(F)c(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene?
The InChIKey is FKBWBAPMPKUMAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5/c1-2-3-14-4-7-18(21(27)10-14)17-12-22(28)24(23(29)13-17)16-5-8-19-15(11-16)6-9-20(26)25(19)30/h4-13H,2-3H2,1H3.
What are the key properties of 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene?
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene has a molecular weight of 412.40 g/mol, XLogP of 7.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene is sourced from PubChem (CID 139847336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).