6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C19H17F2N — CID 139849176

IUPAC6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc(C2CCc3cc(C#N)c(F)cc3C2)c(F)c1
InChIInChI=1S/C19H17F2N/c1-2-12-3-6-17(19(21)7-12)14-5-4-13-8-16(11-22)18(20)10-15(13)9-14/h3,6-8,10,14H,2,4-5,9H2,1H3
InChIKeyGAVSTYZAMMXELP-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.67
Rot. Bonds2

About 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139849176) has the molecular formula C19H17F2N and a molecular weight of 297.35 g/mol. Its IUPAC name is 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139849176
Molecular FormulaC19H17F2N
Molecular Weight297.35 g/mol
Exact Mass297.13
IUPAC Name6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc(C2CCc3cc(C#N)c(F)cc3C2)c(F)c1
InChIInChI=1S/C19H17F2N/c1-2-12-3-6-17(19(21)7-12)14-5-4-13-8-16(11-22)18(20)10-15(13)9-14/h3,6-8,10,14H,2,4-5,9H2,1H3
InChIKeyGAVSTYZAMMXELP-UHFFFAOYSA-N
XLogP4.67
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139849176) is 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCc1ccc(C2CCc3cc(C#N)c(F)cc3C2)c(F)c1.
What is the InChIKey of 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is GAVSTYZAMMXELP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F2N/c1-2-12-3-6-17(19(21)7-12)14-5-4-13-8-16(11-22)18(20)10-15(13)9-14/h3,6-8,10,14H,2,4-5,9H2,1H3.
What are the key properties of 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 297.35 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139849176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).