6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

C23H20FN — CID 139849814

IUPAC6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc2cc(C3CCc4cc(C#N)c(F)cc4C3)ccc2c1
InChIInChI=1S/C23H20FN/c1-2-15-3-4-17-10-18(6-5-16(17)9-15)19-7-8-20-12-22(14-25)23(24)13-21(20)11-19/h3-6,9-10,12-13,19H,2,7-8,11H2,1H3
InChIKeySTFUEPOIZWESSI-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.69
Rot. Bonds2

About 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile

6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139849814) has the molecular formula C23H20FN and a molecular weight of 329.42 g/mol. Its IUPAC name is 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139849814
Molecular FormulaC23H20FN
Molecular Weight329.42 g/mol
Exact Mass329.16
IUPAC Name6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCc1ccc2cc(C3CCc4cc(C#N)c(F)cc4C3)ccc2c1
InChIInChI=1S/C23H20FN/c1-2-15-3-4-17-10-18(6-5-16(17)9-15)19-7-8-20-12-22(14-25)23(24)13-21(20)11-19/h3-6,9-10,12-13,19H,2,7-8,11H2,1H3
InChIKeySTFUEPOIZWESSI-UHFFFAOYSA-N
XLogP5.69
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-6-(6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849824
6-(4-ethyl-2-fluorophenyl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849176
1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139847971
1-fluoro-6-(6-pentylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849138
6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848534
3-fluoro-6-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848490
3-fluoro-6-(1-fluoro-6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849619
2-ethyl-6-[6-[(E)-pent-3-enyl]-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139848861
6-[4-(4-ethylcyclohexyl)-2,6-difluorophenyl]-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848700
6-(6-ethyl-1-fluoronaphthalen-2-yl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848902
6-[2-(3,4-difluorophenyl)ethynyl]-7-fluoro-2-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852206
2-heptyl-6-[6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalen-2-yl]naphthalene
CID 139849239

Frequently Asked Questions

What is the IUPAC name of 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139849814) is 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCc1ccc2cc(C3CCc4cc(C#N)c(F)cc4C3)ccc2c1.
What is the InChIKey of 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is STFUEPOIZWESSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN/c1-2-15-3-4-17-10-18(6-5-16(17)9-15)19-7-8-20-12-22(14-25)23(24)13-21(20)11-19/h3-6,9-10,12-13,19H,2,7-8,11H2,1H3.
What are the key properties of 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile has a molecular weight of 329.42 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139849814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).