6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C18H16FN — CID 139848301

IUPAC6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1ccc(C2CCc3cc(C#N)ccc3C2)c(F)c1
InChIInChI=1S/C18H16FN/c1-12-2-7-17(18(19)8-12)16-6-5-14-9-13(11-20)3-4-15(14)10-16/h2-4,7-9,16H,5-6,10H2,1H3
InChIKeyBATCYINJYZHVDF-UHFFFAOYSA-N
MW265.33 g/mol
LogP4.28
Rot. Bonds1

About 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139848301) has the molecular formula C18H16FN and a molecular weight of 265.33 g/mol. Its IUPAC name is 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139848301
Molecular FormulaC18H16FN
Molecular Weight265.33 g/mol
Exact Mass265.13
IUPAC Name6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCc1ccc(C2CCc3cc(C#N)ccc3C2)c(F)c1
InChIInChI=1S/C18H16FN/c1-12-2-7-17(18(19)8-12)16-6-5-14-9-13(11-20)3-4-15(14)10-16/h2-4,7-9,16H,5-6,10H2,1H3
InChIKeyBATCYINJYZHVDF-UHFFFAOYSA-N
XLogP4.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139847966
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
6-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849828
6-(2,6-difluoro-4-hexylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848041
6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849176
1-cyclopropyl-2-fluoro-4-methylbenzene;ethane
CID 144800459
6-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848488
6-[2-(2,3-difluorophenyl)ethynyl]-2-(2-fluoro-4-propylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853124
6-[2-(3,4-difluorophenyl)ethynyl]-2-(4-ethyl-2,3-difluorophenyl)-1,2,3,4-tetrahydronaphthalene
CID 139853123
2-(4-ethyl-2-fluorophenyl)-6-propyl-1,2,3,4-tetrahydronaphthalene
CID 139848552
2-(4-butyl-2-fluorophenyl)-6-[2-(2,3-difluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853455
6-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 13488729

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139848301) is 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is Cc1ccc(C2CCc3cc(C#N)ccc3C2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is BATCYINJYZHVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN/c1-12-2-7-17(18(19)8-12)16-6-5-14-9-13(11-20)3-4-15(14)10-16/h2-4,7-9,16H,5-6,10H2,1H3.
What are the key properties of 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 265.33 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methylphenyl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139848301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).