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

C25H17F5 — CID 139847195

IUPAC6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
SMILESCCCc1cc(F)c(-c2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H17F5/c1-2-3-14-10-22(28)24(23(29)11-14)17-5-7-18(21(27)13-17)15-4-8-19-16(12-15)6-9-20(26)25(19)30/h4-13H,2-3H2,1H3
InChIKeyVDZZKLWOGAJQAJ-UHFFFAOYSA-N
MW412.40 g/mol
LogP7.82
Rot. Bonds4

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

6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene (PubChem CID 139847195) has the molecular formula C25H17F5 and a molecular weight of 412.40 g/mol. Its IUPAC name is 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene.

Molecular Properties

Compound Name6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
PubChem CID139847195
Molecular FormulaC25H17F5
Molecular Weight412.40 g/mol
Exact Mass412.13
IUPAC Name6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene
SMILESCCCc1cc(F)c(-c2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1
InChIInChI=1S/C25H17F5/c1-2-3-14-10-22(28)24(23(29)11-14)17-5-7-18(21(27)13-17)15-4-8-19-16(12-15)6-9-20(26)25(19)30/h4-13H,2-3H2,1H3
InChIKeyVDZZKLWOGAJQAJ-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

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Related Compounds

6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1,2-difluoronaphthalene
CID 139847336
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
6-[2-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]ethynyl]-1,2-difluoronaphthalene
CID 139847057
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
6-[2,6-difluoro-4-(2-fluoro-4-propylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855641
6-(2,6-difluoro-4-propylphenyl)-1-fluoro-2-[2-(4-fluorophenyl)ethyl]naphthalene
CID 139871753
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-1,2,3-trifluoronaphthalene
CID 139846986
6-(2,6-difluoro-4-propylphenyl)-2-[2-[3,5-difluoro-4-(trifluoromethyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139872854
2-(3,4-difluorophenyl)-1,3-difluoro-5-[2-(4-propylphenyl)ethyl]benzene
CID 18513408
6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1-fluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856403

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene?
The IUPAC name of 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene (CID 139847195) is 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene.
What is the SMILES notation for 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene?
The canonical SMILES for 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene is CCCc1cc(F)c(-c2ccc(-c3ccc4c(F)c(F)ccc4c3)c(F)c2)c(F)c1.
What is the InChIKey of 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene?
The InChIKey is VDZZKLWOGAJQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F5/c1-2-3-14-10-22(28)24(23(29)11-14)17-5-7-18(21(27)13-17)15-4-8-19-16(12-15)6-9-20(26)25(19)30/h4-13H,2-3H2,1H3.
What are the key properties of 6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene?
6-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-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-[4-(2,6-difluoro-4-propylphenyl)-2-fluorophenyl]-1,2-difluoronaphthalene is sourced from PubChem (CID 139847195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).