3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene

C20H18F4 — CID 139961103

IUPAC3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
SMILESCCCCc1cc(F)c(C2=Cc3cc(F)c(F)cc3CC2)c(F)c1
InChIInChI=1S/C20H18F4/c1-2-3-4-12-7-18(23)20(19(24)8-12)14-6-5-13-10-16(21)17(22)11-15(13)9-14/h7-11H,2-6H2,1H3
InChIKeyHNKJNFGAJAMAHV-UHFFFAOYSA-N
MW334.36 g/mol
LogP6.07
Rot. Bonds4

About 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene

3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene (PubChem CID 139961103) has the molecular formula C20H18F4 and a molecular weight of 334.36 g/mol. Its IUPAC name is 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
PubChem CID139961103
Molecular FormulaC20H18F4
Molecular Weight334.36 g/mol
Exact Mass334.13
IUPAC Name3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
SMILESCCCCc1cc(F)c(C2=Cc3cc(F)c(F)cc3CC2)c(F)c1
InChIInChI=1S/C20H18F4/c1-2-3-4-12-7-18(23)20(19(24)8-12)14-6-5-13-10-16(21)17(22)11-15(13)9-14/h7-11H,2-6H2,1H3
InChIKeyHNKJNFGAJAMAHV-UHFFFAOYSA-N
XLogP6.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.36
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(4-butylphenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961229
3-(4-butyl-2,6-difluorophenyl)-6-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-1,2-dihydronaphthalene
CID 139961399
2-[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967211
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 139961212
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
3-(4-butylphenyl)-6,8-difluoro-7-(4-fluorophenyl)-1,2-dihydronaphthalene
CID 139951883
2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene
CID 139967121
3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139961465
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115

Frequently Asked Questions

What is the IUPAC name of 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene?
The IUPAC name of 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene (CID 139961103) is 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene?
The canonical SMILES for 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene is CCCCc1cc(F)c(C2=Cc3cc(F)c(F)cc3CC2)c(F)c1.
What is the InChIKey of 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene?
The InChIKey is HNKJNFGAJAMAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F4/c1-2-3-4-12-7-18(23)20(19(24)8-12)14-6-5-13-10-16(21)17(22)11-15(13)9-14/h7-11H,2-6H2,1H3.
What are the key properties of 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene?
3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene has a molecular weight of 334.36 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene is sourced from PubChem (CID 139961103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).