6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile

C20H15F4N — CID 139949003

IUPAC6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
SMILESCCCc1cc(F)c(C2=CCc3c(cc(F)c(C#N)c3F)C2)c(F)c1
InChIInChI=1S/C20H15F4N/c1-2-3-11-6-17(22)19(18(23)7-11)12-4-5-14-13(8-12)9-16(21)15(10-25)20(14)24/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyJSDUYTZXGKSALF-UHFFFAOYSA-N
MW345.34 g/mol
LogP5.25
Rot. Bonds3

About 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile

6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile (PubChem CID 139949003) has the molecular formula C20H15F4N and a molecular weight of 345.34 g/mol. Its IUPAC name is 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
PubChem CID139949003
Molecular FormulaC20H15F4N
Molecular Weight345.34 g/mol
Exact Mass345.11
IUPAC Name6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
SMILESCCCc1cc(F)c(C2=CCc3c(cc(F)c(C#N)c3F)C2)c(F)c1
InChIInChI=1S/C20H15F4N/c1-2-3-11-6-17(22)19(18(23)7-11)12-4-5-14-13(8-12)9-16(21)15(10-25)20(14)24/h4,6-7,9H,2-3,5,8H2,1H3
InChIKeyJSDUYTZXGKSALF-UHFFFAOYSA-N
XLogP5.25
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.34
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile 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-(2,6-difluoro-4-pentylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
CID 139948656
1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
CID 139948659
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
2-(4-butyl-2,6-difluorophenyl)-5,7-difluoro-6-[4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139948831
2-(2,6-difluoro-4-pentylphenyl)-5-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139960805
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
2-(2,6-difluoro-4-propylphenyl)-6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-1,4-dihydronaphthalene
CID 139961670
6-(2,6-difluoro-4-pentylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849819
6-(3,4-difluorophenyl)-2-(4-ethyl-2-fluorophenyl)-5,7-difluoro-1,4-dihydronaphthalene
CID 139948697
6-[2-(2,6-difluoro-4-pentylphenyl)ethyl]-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848507
5-[2-(2,6-difluoro-4-propylphenyl)ethynyl]-1,3-difluoronaphthalene-2-carbonitrile
CID 139817698
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,4-dihydronaphthalene
CID 139949001

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile (CID 139949003) is 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile is CCCc1cc(F)c(C2=CCc3c(cc(F)c(C#N)c3F)C2)c(F)c1.
What is the InChIKey of 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile?
The InChIKey is JSDUYTZXGKSALF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N/c1-2-3-11-6-17(22)19(18(23)7-11)12-4-5-14-13(8-12)9-16(21)15(10-25)20(14)24/h4,6-7,9H,2-3,5,8H2,1H3.
What are the key properties of 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile?
6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile has a molecular weight of 345.34 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139949003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).