6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C24H22FN — CID 139848462

IUPAC6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCCc1ccc2c(F)c(C3CCc4cc(C#N)ccc4C3)ccc2c1
InChIInChI=1S/C24H22FN/c1-2-3-16-5-10-22-20(12-16)9-11-23(24(22)25)21-8-7-18-13-17(15-26)4-6-19(18)14-21/h4-6,9-13,21H,2-3,7-8,14H2,1H3
InChIKeyXLUYGAPUBHWXSE-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.08
Rot. Bonds3

About 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139848462) has the molecular formula C24H22FN and a molecular weight of 343.45 g/mol. Its IUPAC name is 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139848462
Molecular FormulaC24H22FN
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCCc1ccc2c(F)c(C3CCc4cc(C#N)ccc4C3)ccc2c1
InChIInChI=1S/C24H22FN/c1-2-3-16-5-10-22-20(12-16)9-11-23(24(22)25)21-8-7-18-13-17(15-26)4-6-19(18)14-21/h4-6,9-13,21H,2-3,7-8,14H2,1H3
InChIKeyXLUYGAPUBHWXSE-UHFFFAOYSA-N
XLogP6.08
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.45
LogP ≤ 56.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
3-fluoro-6-(1-fluoro-6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849619
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
1-fluoro-2-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-pentylnaphthalene
CID 139848807
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
CID 139849606
2-(6-but-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-6-butyl-1-fluoronaphthalene
CID 139849672
6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848902
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
6-[2-(2,3-difluorophenyl)ethynyl]-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853124
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848301
1-fluoro-6-propyl-2-[4-(3,4,5-trifluorophenyl)cyclohexyl]naphthalene
CID 58839893

Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139848462) is 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCCc1ccc2c(F)c(C3CCc4cc(C#N)ccc4C3)ccc2c1.
What is the InChIKey of 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is XLUYGAPUBHWXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN/c1-2-3-16-5-10-22-20(12-16)9-11-23(24(22)25)21-8-7-18-13-17(15-26)4-6-19(18)14-21/h4-6,9-13,21H,2-3,7-8,14H2,1H3.
What are the key properties of 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 343.45 g/mol, XLogP of 6.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139848462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).