2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene

C20H20F2 — CID 139961655

IUPAC2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(F)c(F)cc3C2)cc1
InChIInChI=1S/C20H20F2/c1-2-3-4-14-5-7-15(8-6-14)16-9-10-17-12-19(21)20(22)13-18(17)11-16/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyBFVUFIQELJVRLV-UHFFFAOYSA-N
MW298.38 g/mol
LogP5.49
Rot. Bonds4

About 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene

2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene (PubChem CID 139961655) has the molecular formula C20H20F2 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene.

Molecular Properties

Compound Name2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
PubChem CID139961655
Molecular FormulaC20H20F2
Molecular Weight298.38 g/mol
Exact Mass298.15
IUPAC Name2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene
SMILESCCCCc1ccc(C2=CCc3cc(F)c(F)cc3C2)cc1
InChIInChI=1S/C20H20F2/c1-2-3-4-14-5-7-15(8-6-14)16-9-10-17-12-19(21)20(22)13-18(17)11-16/h5-9,12-13H,2-4,10-11H2,1H3
InChIKeyBFVUFIQELJVRLV-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.38
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(4-butylphenyl)-7-fluoro-6-(4-fluorophenyl)-1,4-dihydronaphthalene
CID 139961504
2-(4-butylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961496
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961493
2-[4-(4-butylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961736
3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
2-(4-ethylphenyl)-7-fluoro-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139961745
6-(3,4-difluorophenyl)-5,7-difluoro-2-(4-propylphenyl)-1,4-dihydronaphthalene
CID 139948811
2-(4-ethylphenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961869
1,3-difluoro-6-(4-propylphenyl)-5,8-dihydronaphthalene-2-carbonitrile
CID 139948659
6-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-7-fluoro-2-(2-fluoro-4-pentylphenyl)-1,4-dihydronaphthalene
CID 139961732
5,7-difluoro-2-(2-fluoro-4-pentylphenyl)-6-(3,4,5-trifluorophenyl)-1,4-dihydronaphthalene
CID 139948920
1-(4-butylphenyl)-2,5-difluoro-4-(4-propylphenyl)benzene
CID 71422219

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene?
The IUPAC name of 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene (CID 139961655) is 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene.
What is the SMILES notation for 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene?
The canonical SMILES for 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene is CCCCc1ccc(C2=CCc3cc(F)c(F)cc3C2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene?
The InChIKey is BFVUFIQELJVRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2/c1-2-3-4-14-5-7-15(8-6-14)16-9-10-17-12-19(21)20(22)13-18(17)11-16/h5-9,12-13H,2-4,10-11H2,1H3.
What are the key properties of 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene?
2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene has a molecular weight of 298.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-6,7-difluoro-1,4-dihydronaphthalene is sourced from PubChem (CID 139961655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).