1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene

C24H24F2O — CID 139861060

IUPAC1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene
SMILESC=CCOc1ccc(-c2ccc3cc(CCCCC)c(F)c(F)c3c2)cc1
InChIInChI=1S/C24H24F2O/c1-3-5-6-7-20-15-19-9-8-18(16-22(19)24(26)23(20)25)17-10-12-21(13-11-17)27-14-4-2/h4,8-13,15-16H,2-3,5-7,14H2,1H3
InChIKeyPMORTUAMUHOBCS-UHFFFAOYSA-N
MW366.45 g/mol
LogP7.08
Rot. Bonds8

About 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene

1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene (PubChem CID 139861060) has the molecular formula C24H24F2O and a molecular weight of 366.45 g/mol. Its IUPAC name is 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene.

Molecular Properties

Compound Name1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene
PubChem CID139861060
Molecular FormulaC24H24F2O
Molecular Weight366.45 g/mol
Exact Mass366.18
IUPAC Name1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene
SMILESC=CCOc1ccc(-c2ccc3cc(CCCCC)c(F)c(F)c3c2)cc1
InChIInChI=1S/C24H24F2O/c1-3-5-6-7-20-15-19-9-8-18(16-22(19)24(26)23(20)25)17-10-12-21(13-11-17)27-14-4-2/h4,8-13,15-16H,2-3,5-7,14H2,1H3
InChIKeyPMORTUAMUHOBCS-UHFFFAOYSA-N
XLogP7.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.45
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

7-(4-but-2-enoxyphenyl)-1,2-difluoro-3-pentylnaphthalene
CID 139863077
1,2-difluoro-7-(4-methoxyphenyl)-3-propylnaphthalene
CID 139863571
3-(4-but-2-enoxyphenyl)-1,2,8-trifluoro-7-pentylnaphthalene
CID 139861598
2-(4-ethoxyphenyl)-6-prop-2-enoxynaphthalene
CID 139863903
2-[2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enoxyphenyl)naphthalene
CID 139870749
3-(4-but-2-enoxyphenyl)-1,2-difluoro-7-propylnaphthalene
CID 139861373
1-[4-(4-ethoxyphenyl)phenyl]-2,3-difluoro-4-octylbenzene
CID 54190896
1-fluoro-6-(4-heptylphenyl)-2-[2-[4-(2,2,2-trifluoroethoxy)phenyl]ethyl]naphthalene
CID 139874489
2-(2,3-difluoro-4-octylphenyl)-6-octoxynaphthalene
CID 54385992
2-[2-(4-chlorophenyl)ethyl]-1-fluoro-6-(4-pentoxyphenyl)naphthalene
CID 139874640
1-pentyl-4-[2-(4-prop-2-enoxyphenyl)ethynyl]benzene
CID 70371623
2-[1-fluoro-2-[4-(4-prop-2-enoxyphenyl)phenyl]hexyl]naphthalene
CID 174430446

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene?
The IUPAC name of 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene (CID 139861060) is 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene.
What is the SMILES notation for 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene?
The canonical SMILES for 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene is C=CCOc1ccc(-c2ccc3cc(CCCCC)c(F)c(F)c3c2)cc1.
What is the InChIKey of 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene?
The InChIKey is PMORTUAMUHOBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2O/c1-3-5-6-7-20-15-19-9-8-18(16-22(19)24(26)23(20)25)17-10-12-21(13-11-17)27-14-4-2/h4,8-13,15-16H,2-3,5-7,14H2,1H3.
What are the key properties of 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene?
1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene has a molecular weight of 366.45 g/mol, XLogP of 7.08, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-difluoro-3-pentyl-7-(4-prop-2-enoxyphenyl)naphthalene is sourced from PubChem (CID 139861060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).