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

C24H22FN — CID 139847971

IUPAC1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCCc1ccc2cc(C3CCc4c(ccc(C#N)c4F)C3)ccc2c1
InChIInChI=1S/C24H22FN/c1-2-3-16-4-5-18-13-19(7-6-17(18)12-16)20-10-11-23-21(14-20)8-9-22(15-26)24(23)25/h4-9,12-13,20H,2-3,10-11,14H2,1H3
InChIKeyANXPHRHXGIGKCW-UHFFFAOYSA-N
MW343.45 g/mol
LogP6.08
Rot. Bonds3

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

1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (PubChem CID 139847971) has the molecular formula C24H22FN and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.

Molecular Properties

Compound Name1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
PubChem CID139847971
Molecular FormulaC24H22FN
Molecular Weight343.45 g/mol
Exact Mass343.17
IUPAC Name1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
SMILESCCCc1ccc2cc(C3CCc4c(ccc(C#N)c4F)C3)ccc2c1
InChIInChI=1S/C24H22FN/c1-2-3-16-4-5-18-13-19(7-6-17(18)12-16)20-10-11-23-21(14-20)8-9-22(15-26)24(23)25/h4-9,12-13,20H,2-3,10-11,14H2,1H3
InChIKeyANXPHRHXGIGKCW-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

1-fluoro-6-(6-pentylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849138
3-fluoro-6-(6-hexylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849824
1-fluoro-6-[4-(4-propylcyclohexyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848414
6-(6-ethylnaphthalen-2-yl)-3-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849814
6-(2,6-difluoro-4-heptylphenyl)-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848050
6-[2-(2,6-difluoro-4-propylphenyl)ethyl]-1-fluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848441
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-1-fluoro-6-propylnaphthalene
CID 139849743
2-(5,6-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)-6-methylnaphthalene
CID 139849532
6-(1-fluoro-6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848462
6-[2-(2,3-difluorophenyl)ethynyl]-5-fluoro-2-(4-pentylphenyl)-1,2,3,4-tetrahydronaphthalene
CID 139852272
6-(4-ethylphenyl)-1,3-difluoro-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139848534
1-fluoro-6-[2-(4-heptylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-carbonitrile
CID 139849708

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The IUPAC name of 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile (CID 139847971) is 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile.
What is the SMILES notation for 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The canonical SMILES for 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is CCCc1ccc2cc(C3CCc4c(ccc(C#N)c4F)C3)ccc2c1.
What is the InChIKey of 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
The InChIKey is ANXPHRHXGIGKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN/c1-2-3-16-4-5-18-13-19(7-6-17(18)12-16)20-10-11-23-21(14-20)8-9-22(15-26)24(23)25/h4-9,12-13,20H,2-3,10-11,14H2,1H3.
What are the key properties of 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile?
1-fluoro-6-(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 1-fluoro-6-(6-propylnaphthalen-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carbonitrile is sourced from PubChem (CID 139847971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).