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

C20H17F2N — CID 139948659

IUPAC1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
SMILESCCCc1ccc(C2=CCc3c(cc(F)c(C#N)c3F)C2)cc1
InChIInChI=1S/C20H17F2N/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-19(21)18(12-23)20(17)22/h4-8,11H,2-3,9-10H2,1H3
InChIKeyJYIHOBZNTUJXGS-UHFFFAOYSA-N
MW309.36 g/mol
LogP4.97
Rot. Bonds3

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

1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile (PubChem CID 139948659) has the molecular formula C20H17F2N and a molecular weight of 309.36 g/mol. Its IUPAC name is 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
PubChem CID139948659
Molecular FormulaC20H17F2N
Molecular Weight309.36 g/mol
Exact Mass309.13
IUPAC Name1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
SMILESCCCc1ccc(C2=CCc3c(cc(F)c(C#N)c3F)C2)cc1
InChIInChI=1S/C20H17F2N/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-19(21)18(12-23)20(17)22/h4-8,11H,2-3,9-10H2,1H3
InChIKeyJYIHOBZNTUJXGS-UHFFFAOYSA-N
XLogP4.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-(2,6-difluoro-4-propylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
CID 139949003
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
6-(2,6-difluoro-4-pentylphenyl)-1,3-difluoro-5,8-dihydronaphthalene-2-carbonitrile
CID 139948656
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
CID 139961655
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
2-fluoro-4-(4-propylphenyl)benzonitrile
CID 15085130
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
5,6,7-trifluoro-2-[4-(4-propylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139948703
2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
2-fluoro-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzonitrile
CID 14766020
2-(4-ethylphenyl)-5-fluoro-6-methoxy-1,4-dihydronaphthalene
CID 139960710
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961493

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile?
The IUPAC name of 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile (CID 139948659) is 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile.
What is the SMILES notation for 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile?
The canonical SMILES for 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile is CCCc1ccc(C2=CCc3c(cc(F)c(C#N)c3F)C2)cc1.
What is the InChIKey of 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile?
The InChIKey is JYIHOBZNTUJXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N/c1-2-3-13-4-6-14(7-5-13)15-8-9-17-16(10-15)11-19(21)18(12-23)20(17)22/h4-8,11H,2-3,9-10H2,1H3.
What are the key properties of 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile?
1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile has a molecular weight of 309.36 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139948659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).