7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene

C22H23F3 — CID 139960597

IUPAC7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene
SMILESCCCCCCC1=Cc2ccc(-c3cccc(F)c3F)c(F)c2CC1
InChIInChI=1S/C22H23F3/c1-2-3-4-5-7-15-10-12-17-16(14-15)11-13-19(21(17)24)18-8-6-9-20(23)22(18)25/h6,8-9,11,13-14H,2-5,7,10,12H2,1H3
InChIKeyBZTVQKVDGKIUSX-UHFFFAOYSA-N
MW344.42 g/mol
LogP7.07
Rot. Bonds6

About 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene

7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene (PubChem CID 139960597) has the molecular formula C22H23F3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene
PubChem CID139960597
Molecular FormulaC22H23F3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene
SMILESCCCCCCC1=Cc2ccc(-c3cccc(F)c3F)c(F)c2CC1
InChIInChI=1S/C22H23F3/c1-2-3-4-5-7-15-10-12-17-16(14-15)11-13-19(21(17)24)18-8-6-9-20(23)22(18)25/h6,8-9,11,13-14H,2-5,7,10,12H2,1H3
InChIKeyBZTVQKVDGKIUSX-UHFFFAOYSA-N
XLogP7.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

7-(2,3-difluorophenyl)-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960552
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960499
7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
CID 139960473
3-butyl-7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-1,2-dihydronaphthalene
CID 139960444
8-fluoro-3-hexyl-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139960330
6,8-difluoro-3-heptyl-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139952245
7-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-8-fluoro-3-[2-(4-hexylcyclohexyl)ethyl]-1,2-dihydronaphthalene
CID 139960524
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961149
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
CID 139961245
7,8-difluoro-3-(4-pentylphenyl)-1,2-dihydronaphthalene
CID 139960274
1,8-difluoro-2-heptyl-7-hexyl-9,10-dihydrophenanthrene
CID 174389855
8-fluoro-7-[3-fluoro-4-(trifluoromethoxy)phenyl]-3-propyl-1,2-dihydronaphthalene
CID 139960579

Frequently Asked Questions

What is the IUPAC name of 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene?
The IUPAC name of 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene (CID 139960597) is 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene is CCCCCCC1=Cc2ccc(-c3cccc(F)c3F)c(F)c2CC1.
What is the InChIKey of 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene?
The InChIKey is BZTVQKVDGKIUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3/c1-2-3-4-5-7-15-10-12-17-16(14-15)11-13-19(21(17)24)18-8-6-9-20(23)22(18)25/h6,8-9,11,13-14H,2-5,7,10,12H2,1H3.
What are the key properties of 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene?
7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene has a molecular weight of 344.42 g/mol, XLogP of 7.07, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139960597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).