7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene

C20H18F2O — CID 139863236

IUPAC7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
SMILESCCOc1ccc2cc(-c3ccc(CC)cc3)c(F)c(F)c2c1
InChIInChI=1S/C20H18F2O/c1-3-13-5-7-14(8-6-13)17-11-15-9-10-16(23-4-2)12-18(15)20(22)19(17)21/h5-12H,3-4H2,1-2H3
InChIKeyZGJYSIOEKQNANK-UHFFFAOYSA-N
MW312.36 g/mol
LogP5.75
Rot. Bonds4

About 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene

7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene (PubChem CID 139863236) has the molecular formula C20H18F2O and a molecular weight of 312.36 g/mol. Its IUPAC name is 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene.

Molecular Properties

Compound Name7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
PubChem CID139863236
Molecular FormulaC20H18F2O
Molecular Weight312.36 g/mol
Exact Mass312.13
IUPAC Name7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
SMILESCCOc1ccc2cc(-c3ccc(CC)cc3)c(F)c(F)c2c1
InChIInChI=1S/C20H18F2O/c1-3-13-5-7-14(8-6-13)17-11-15-9-10-16(23-4-2)12-18(15)20(22)19(17)21/h5-12H,3-4H2,1-2H3
InChIKeyZGJYSIOEKQNANK-UHFFFAOYSA-N
XLogP5.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.36
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
CID 139863141
7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139862852
3-(4-but-2-enoxyphenyl)-1,2-difluoro-7-propylnaphthalene
CID 139861373
3-(4-but-3-enylphenyl)-1,2-difluoro-7-methoxynaphthalene
CID 139860462
3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
CID 139862827
2-ethoxy-5-(4-ethoxyphenyl)-6,7-difluoro-1-benzofuran
CID 134369998
2-(4-ethoxyphenyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861883
1-(4-ethylphenyl)-2,3-difluoro-4-[4-(trifluoromethoxy)phenyl]benzene
CID 70388417
1-(4-ethylphenyl)-2,3-difluoro-4-(4-pentoxyphenyl)benzene
CID 162480776
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
CID 139864021
4-ethyl-2-fluoro-1-(4-methoxyphenyl)benzene
CID 146522341
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-(4-propoxyphenyl)benzene
CID 19107911

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
The IUPAC name of 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene (CID 139863236) is 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene.
What is the SMILES notation for 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
The canonical SMILES for 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene is CCOc1ccc2cc(-c3ccc(CC)cc3)c(F)c(F)c2c1.
What is the InChIKey of 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
The InChIKey is ZGJYSIOEKQNANK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2O/c1-3-13-5-7-14(8-6-13)17-11-15-9-10-16(23-4-2)12-18(15)20(22)19(17)21/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene?
7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene has a molecular weight of 312.36 g/mol, XLogP of 5.75, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene is sourced from PubChem (CID 139863236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).