7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene

C23H25F3 — CID 139961245

IUPAC7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
SMILESCCCCCC1=Cc2cc(F)c(-c3ccc(CC)c(F)c3F)cc2CC1
InChIInChI=1S/C23H25F3/c1-3-5-6-7-15-8-9-17-13-20(21(24)14-18(17)12-15)19-11-10-16(4-2)22(25)23(19)26/h10-14H,3-9H2,1-2H3
InChIKeyCOHRDKNYZQZSHL-UHFFFAOYSA-N
MW358.45 g/mol
LogP7.24
Rot. Bonds6

About 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene

7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene (PubChem CID 139961245) has the molecular formula C23H25F3 and a molecular weight of 358.45 g/mol. Its IUPAC name is 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene.

Molecular Properties

Compound Name7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
PubChem CID139961245
Molecular FormulaC23H25F3
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene
SMILESCCCCCC1=Cc2cc(F)c(-c3ccc(CC)c(F)c3F)cc2CC1
InChIInChI=1S/C23H25F3/c1-3-5-6-7-15-8-9-17-13-20(21(24)14-18(17)12-15)19-11-10-16(4-2)22(25)23(19)26/h10-14H,3-9H2,1-2H3
InChIKeyCOHRDKNYZQZSHL-UHFFFAOYSA-N
XLogP7.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 57.24
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

3-(4-butylphenyl)-7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961104
6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-2-hexyl-1,4-dihydronaphthalene
CID 139961545
3-butyl-6-fluoro-7-(3,4,5-trifluorophenyl)-1,2-dihydronaphthalene
CID 139961465
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-(4-propylcyclohexyl)-1,2-dihydronaphthalene
CID 139961179
3-(4-butyl-2,3-difluorophenyl)-7-(2,3-difluoro-4-methoxyphenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961395
3-[2-(4-butylcyclohexyl)ethyl]-7-(2,3-difluorophenyl)-6-fluoro-1,2-dihydronaphthalene
CID 139961149
2-(4-butylphenyl)-6-(4-ethyl-2,3-difluorophenyl)-7-fluoro-1,4-dihydronaphthalene
CID 139961493
7-(2,3-difluorophenyl)-8-fluoro-3-hexyl-1,2-dihydronaphthalene
CID 139960597
7-(2,3-difluoro-4-methoxyphenyl)-8-fluoro-3-heptyl-1,2-dihydronaphthalene
CID 139960473
1-(2,3-difluoro-4-propylphenyl)-4-ethyl-2,3-difluorobenzene
CID 123581052
1-ethyl-2,3-difluoro-4-(4-pentylphenyl)benzene
CID 118911713
3-(2,3-difluoro-4-propylphenyl)-6-fluoro-7-methoxy-1,2-dihydronaphthalene
CID 139961178

Frequently Asked Questions

What is the IUPAC name of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene?
The IUPAC name of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene (CID 139961245) is 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene.
What is the SMILES notation for 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene?
The canonical SMILES for 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene is CCCCCC1=Cc2cc(F)c(-c3ccc(CC)c(F)c3F)cc2CC1.
What is the InChIKey of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene?
The InChIKey is COHRDKNYZQZSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3/c1-3-5-6-7-15-8-9-17-13-20(21(24)14-18(17)12-15)19-11-10-16(4-2)22(25)23(19)26/h10-14H,3-9H2,1-2H3.
What are the key properties of 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene?
7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene has a molecular weight of 358.45 g/mol, XLogP of 7.24, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-ethyl-2,3-difluorophenyl)-6-fluoro-3-pentyl-1,2-dihydronaphthalene is sourced from PubChem (CID 139961245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).