6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene

C18H13F3 — CID 139846935

IUPAC6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
SMILESCCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C18H13F3/c1-2-11-3-6-15(16(19)7-11)13-5-4-12-9-17(20)18(21)10-14(12)8-13/h3-10H,2H2,1H3
InChIKeyAETUZXYLZSFVBF-UHFFFAOYSA-N
MW286.30 g/mol
LogP5.49
Rot. Bonds2

About 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene

6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene (PubChem CID 139846935) has the molecular formula C18H13F3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene.

Molecular Properties

Compound Name6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
PubChem CID139846935
Molecular FormulaC18H13F3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene
SMILESCCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C18H13F3/c1-2-11-3-6-15(16(19)7-11)13-5-4-12-9-17(20)18(21)10-14(12)8-13/h3-10H,2H2,1H3
InChIKeyAETUZXYLZSFVBF-UHFFFAOYSA-N
XLogP5.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.30
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139846760
2,3-difluoro-6-(2-fluoro-4-hexylphenyl)naphthalene
CID 139847283
6-[2-[4-(4-ethyl-2-fluorophenyl)-2-fluorophenyl]ethynyl]-2,3-difluoronaphthalene
CID 139846670
4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 129263989
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
2,3-difluoro-6-(2-fluoro-4-methylphenyl)naphthalene
CID 139847087
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
2,3-difluoro-6-[2-fluoro-4-[2-(2-fluoro-4-propylphenyl)ethynyl]phenyl]naphthalene
CID 139846966
6-[2,6-difluoro-4-(2-fluoro-4-heptylphenyl)phenyl]-2,3-difluoronaphthalene
CID 139846711
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275
6-[4-(4-ethyl-2,6-difluorophenyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene
CID 139847159
1,4-bis(4-ethylphenyl)benzene;1,4-bis(4-ethylphenyl)-2-fluorobenzene;1-ethyl-4-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethyl-3-methylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethyl-2-methylphenyl)-2-methylbenzene;1-ethyl-4-(4-ethylphenyl)-2-methylbenzene;4-ethyl-1-(4-ethylphenyl)-2-methylbenzene;2-ethyl-6-(4-ethylphenyl)naphthalene;1-ethyl-4-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene;4-ethyl-1-[4-(4-ethylphenyl)phenyl]-2-fluorobenzene
CID 157191184

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene?
The IUPAC name of 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene (CID 139846935) is 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene.
What is the SMILES notation for 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene?
The canonical SMILES for 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene is CCc1ccc(-c2ccc3cc(F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene?
The InChIKey is AETUZXYLZSFVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3/c1-2-11-3-6-15(16(19)7-11)13-5-4-12-9-17(20)18(21)10-14(12)8-13/h3-10H,2H2,1H3.
What are the key properties of 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene?
6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene has a molecular weight of 286.30 g/mol, XLogP of 5.49, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethyl-2-fluorophenyl)-2,3-difluoronaphthalene is sourced from PubChem (CID 139846935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).