2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene

C24H23F3O — CID 139863755

IUPAC2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
SMILESC=CCCc1ccc(-c2c(OC(F)F)cc3cc(CCC)ccc3c2F)cc1
InChIInChI=1S/C24H23F3O/c1-3-5-7-16-8-11-18(12-9-16)22-21(28-24(26)27)15-19-14-17(6-4-2)10-13-20(19)23(22)25/h3,8-15,24H,1,4-7H2,2H3
InChIKeyZQEYRJCDAGTCMZ-UHFFFAOYSA-N
MW384.44 g/mol
LogP7.32
Rot. Bonds8

About 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene

2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene (PubChem CID 139863755) has the molecular formula C24H23F3O and a molecular weight of 384.44 g/mol. Its IUPAC name is 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene.

Molecular Properties

Compound Name2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
PubChem CID139863755
Molecular FormulaC24H23F3O
Molecular Weight384.44 g/mol
Exact Mass384.17
IUPAC Name2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
SMILESC=CCCc1ccc(-c2c(OC(F)F)cc3cc(CCC)ccc3c2F)cc1
InChIInChI=1S/C24H23F3O/c1-3-5-7-16-8-11-18(12-9-16)22-21(28-24(26)27)15-19-14-17(6-4-2)10-13-20(19)23(22)25/h3,8-15,24H,1,4-7H2,2H3
InChIKeyZQEYRJCDAGTCMZ-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'}

Analyze 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
CID 139863838
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
CID 139861394
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139861063
3-(difluoromethoxy)-2-(4-ethoxyphenyl)-1-fluoro-6-pentylnaphthalene
CID 139862639
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
3-(difluoromethoxy)-2-(4-ethylphenyl)-1-fluoro-6-[(E)-prop-1-enyl]naphthalene
CID 139860896
6-but-2-enoxy-3-(difluoromethoxy)-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139863150
2-[2-[4-(4-but-3-enylphenyl)phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139877478
3-(difluoromethoxy)-6-ethoxy-2-(4-ethylphenyl)-1-fluoronaphthalene
CID 139862827
3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326

Frequently Asked Questions

What is the IUPAC name of 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene?
The IUPAC name of 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene (CID 139863755) is 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene.
What is the SMILES notation for 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene?
The canonical SMILES for 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene is C=CCCc1ccc(-c2c(OC(F)F)cc3cc(CCC)ccc3c2F)cc1.
What is the InChIKey of 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene?
The InChIKey is ZQEYRJCDAGTCMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3O/c1-3-5-7-16-8-11-18(12-9-16)22-21(28-24(26)27)15-19-14-17(6-4-2)10-13-20(19)23(22)25/h3,8-15,24H,1,4-7H2,2H3.
What are the key properties of 2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene?
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene 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-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene is sourced from PubChem (CID 139863755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).