3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene

C20H19F3O — CID 139961178

IUPAC3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1F
InChIInChI=1S/C20H19F3O/c1-3-4-12-7-8-16(20(23)19(12)22)14-6-5-13-11-18(24-2)17(21)10-15(13)9-14/h7-11H,3-6H2,1-2H3
InChIKeyXLLHMWRNNDPCLS-UHFFFAOYSA-N
MW332.37 g/mol
LogP5.55
Rot. Bonds4

About 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene

3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene (PubChem CID 139961178) has the molecular formula C20H19F3O and a molecular weight of 332.37 g/mol. Its IUPAC name is 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
PubChem CID139961178
Molecular FormulaC20H19F3O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
SMILESCCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1F
InChIInChI=1S/C20H19F3O/c1-3-4-12-7-8-16(20(23)19(12)22)14-6-5-13-11-18(24-2)17(21)10-15(13)9-14/h7-11H,3-6H2,1-2H3
InChIKeyXLLHMWRNNDPCLS-UHFFFAOYSA-N
XLogP5.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.37
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
3-(4-butyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961426
6-fluoro-3-(2-fluoro-4-pentylphenyl)-7-methoxy-1,2-dihydronaphthalene
CID 139961212
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961429
3-(4-ethylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961130
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960432
6-fluoro-3-(2-fluoro-4-propylphenyl)-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961115
6-fluoro-3-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-7-methoxy-1,2-dihydronaphthalene
CID 139961109
3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
3-[4-(4-ethylcyclohexyl)phenyl]-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961102
3-(4-ethyl-2-fluorophenyl)-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961089
7-(4-ethyl-2,3-difluorophenyl)-8-fluoro-3-(2-fluoro-4-propylphenyl)-1,2-dihydronaphthalene
CID 139960643

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The IUPAC name of 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene (CID 139961178) is 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene.
What is the SMILES notation for 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The canonical SMILES for 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene is CCCc1ccc(C2=Cc3cc(F)c(OC)cc3CC2)c(F)c1F.
What is the InChIKey of 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
The InChIKey is XLLHMWRNNDPCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3O/c1-3-4-12-7-8-16(20(23)19(12)22)14-6-5-13-11-18(24-2)17(21)10-15(13)9-14/h7-11H,3-6H2,1-2H3.
What are the key properties of 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene?
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene has a molecular weight of 332.37 g/mol, XLogP of 5.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene is sourced from PubChem (CID 139961178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).