6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C23H18F3N — CID 139848902

IUPAC6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc2c(F)c(C3CCc4c(cc(F)c(C#N)c4F)C3)ccc2c1
InChIInChI=1S/C23H18F3N/c1-2-13-3-6-17-14(9-13)4-7-18(22(17)25)15-5-8-19-16(10-15)11-21(24)20(12-27)23(19)26/h3-4,6-7,9,11,15H,2,5,8,10H2,1H3
InChIKeyOUAGBOZORMUVBM-UHFFFAOYSA-N
MW365.40 g/mol
LogP5.96
Rot. Bonds2

About 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139848902) has the molecular formula C23H18F3N and a molecular weight of 365.40 g/mol. Its IUPAC name is 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139848902
Molecular FormulaC23H18F3N
Molecular Weight365.40 g/mol
Exact Mass365.14
IUPAC Name6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc2c(F)c(C3CCc4c(cc(F)c(C#N)c4F)C3)ccc2c1
InChIInChI=1S/C23H18F3N/c1-2-13-3-6-17-14(9-13)4-7-18(22(17)25)15-5-8-19-16(10-15)11-21(24)20(12-27)23(19)26/h3-4,6-7,9,11,15H,2,5,8,10H2,1H3
InChIKeyOUAGBOZORMUVBM-UHFFFAOYSA-N
XLogP5.96
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.40
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile with MolForge

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Related Compounds

6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848534
1-fluoro-6-methyl-2-(5,6,7-trifluoro-1,2,3,4-tetrahydronaphthalen-2-yl)naphthalene
CID 139849412
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
6-butyl-2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoronaphthalene
CID 139849606
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-hexylnaphthalene
CID 139849579
6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849176
2-(6-but-3-enyl-1,2,3,4-tetrahydronaphthalen-2-yl)-6-ethyl-1-fluoronaphthalene
CID 139848411
1,3-difluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849548
2-(4-ethyl-2-fluorophenyl)-5,6-difluoro-1,2,3,4-tetrahydronaphthalene
CID 139849259
6-(2,6-difluoro-4-pentylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849819

Frequently Asked Questions

What is the IUPAC name of 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139848902) is 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCc1ccc2c(F)c(C3CCc4c(cc(F)c(C#N)c4F)C3)ccc2c1.
What is the InChIKey of 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is OUAGBOZORMUVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F3N/c1-2-13-3-6-17-14(9-13)4-7-18(22(17)25)15-5-8-19-16(10-15)11-21(24)20(12-27)23(19)26/h3-4,6-7,9,11,15H,2,5,8,10H2,1H3.
What are the key properties of 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 365.40 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139848902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).