2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene

C24H23F3O — CID 139860531

IUPAC2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
SMILESC=CCCc1c(OC(F)F)cc2cc(-c3ccc(CCC)cc3)ccc2c1F
InChIInChI=1S/C24H23F3O/c1-3-5-7-21-22(28-24(26)27)15-19-14-18(12-13-20(19)23(21)25)17-10-8-16(6-4-2)9-11-17/h3,8-15,24H,1,4-7H2,2H3
InChIKeyUFOPXAROOBZNCQ-UHFFFAOYSA-N
MW384.44 g/mol
LogP7.32
Rot. Bonds8

About 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene

2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene (PubChem CID 139860531) has the molecular formula C24H23F3O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
PubChem CID139860531
Molecular FormulaC24H23F3O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
SMILESC=CCCc1c(OC(F)F)cc2cc(-c3ccc(CCC)cc3)ccc2c1F
InChIInChI=1S/C24H23F3O/c1-3-5-7-21-22(28-24(26)27)15-19-14-18(12-13-20(19)23(21)25)17-10-8-16(6-4-2)9-11-17/h3,8-15,24H,1,4-7H2,2H3
InChIKeyUFOPXAROOBZNCQ-UHFFFAOYSA-N
XLogP7.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.44
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466
4-(4-but-3-enylphenyl)-1-(difluoromethoxy)-2-fluorobenzene
CID 139764168
2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
CID 139860637
2-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139876095
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139861063
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606
3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
CID 139863838
2-[2-[4-(4-but-3-enylphenyl)phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139877478
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
2-[2-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876195

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene?
The IUPAC name of 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene (CID 139860531) is 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene.
What is the SMILES notation for 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene?
The canonical SMILES for 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene is C=CCCc1c(OC(F)F)cc2cc(-c3ccc(CCC)cc3)ccc2c1F.
What is the InChIKey of 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene?
The InChIKey is UFOPXAROOBZNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O/c1-3-5-7-21-22(28-24(26)27)15-19-14-18(12-13-20(19)23(21)25)17-10-8-16(6-4-2)9-11-17/h3,8-15,24H,1,4-7H2,2H3.
What are the key properties of 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene?
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene has a molecular weight of 384.44 g/mol, XLogP of 7.32, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene is sourced from PubChem (CID 139860531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).