7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene

C21H20F2 — CID 139863141

IUPAC7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2cc3ccc(CC)cc3c(F)c2F)cc1
InChIInChI=1S/C21H20F2/c1-3-5-15-7-9-16(10-8-15)19-13-17-11-6-14(4-2)12-18(17)20(22)21(19)23/h6-13H,3-5H2,1-2H3
InChIKeySDQGZQUSUGRCBR-UHFFFAOYSA-N
MW310.39 g/mol
LogP6.30
Rot. Bonds4

About 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene

7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene (PubChem CID 139863141) has the molecular formula C21H20F2 and a molecular weight of 310.39 g/mol. Its IUPAC name is 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene.

Molecular Properties

Compound Name7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
PubChem CID139863141
Molecular FormulaC21H20F2
Molecular Weight310.39 g/mol
Exact Mass310.15
IUPAC Name7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene
SMILESCCCc1ccc(-c2cc3ccc(CC)cc3c(F)c2F)cc1
InChIInChI=1S/C21H20F2/c1-3-5-15-7-9-16(10-8-15)19-13-17-11-6-14(4-2)12-18(17)20(22)21(19)23/h6-13H,3-5H2,1-2H3
InChIKeySDQGZQUSUGRCBR-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.39
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139862852
3-(4-but-2-enoxyphenyl)-1,2-difluoro-7-propylnaphthalene
CID 139861373
7-ethoxy-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139863236
1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
1,3,4-trifluoro-2-methyl-5-(4-propylphenyl)benzene
CID 54541075
2-ethyl-1,8,9-trifluoro-7-(4-propylphenyl)-1H-cyclopenta[a]naphthalene
CID 130231480
1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
6-[2-[2,3-difluoro-4-(4-propylphenyl)phenyl]ethyl]-1,2,3-trifluoronaphthalene
CID 118858657
3-(4-but-3-enylphenyl)-1,2-difluoro-7-methoxynaphthalene
CID 139860462
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2,3-difluoro-1-(2-fluoro-4-propylphenyl)-4-[4-[2-(3,4,5-trifluorophenyl)ethyl]phenyl]benzene
CID 118858881
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene?
The IUPAC name of 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene (CID 139863141) is 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene.
What is the SMILES notation for 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene?
The canonical SMILES for 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene is CCCc1ccc(-c2cc3ccc(CC)cc3c(F)c2F)cc1.
What is the InChIKey of 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene?
The InChIKey is SDQGZQUSUGRCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2/c1-3-5-15-7-9-16(10-8-15)19-13-17-11-6-14(4-2)12-18(17)20(22)21(19)23/h6-13H,3-5H2,1-2H3.
What are the key properties of 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene?
7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene has a molecular weight of 310.39 g/mol, XLogP of 6.30, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2-difluoro-3-(4-propylphenyl)naphthalene is sourced from PubChem (CID 139863141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).