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

C24H21F3O2 — CID 139861394

IUPAC6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(OCC=C)c(OC(F)F)cc3c2)cc1
InChIInChI=1S/C24H21F3O2/c1-3-5-6-16-7-9-17(10-8-16)18-11-12-20-19(14-18)15-21(29-24(26)27)23(22(20)25)28-13-4-2/h3-4,7-12,14-15,24H,1-2,5-6,13H2
InChIKeyIULOFEGBFJZUCW-UHFFFAOYSA-N
MW398.42 g/mol
LogP6.93
Rot. Bonds9

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

6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene (PubChem CID 139861394) has the molecular formula C24H21F3O2 and a molecular weight of 398.42 g/mol. Its IUPAC name is 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene.

Molecular Properties

Compound Name6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
PubChem CID139861394
Molecular FormulaC24H21F3O2
Molecular Weight398.42 g/mol
Exact Mass398.15
IUPAC Name6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene
SMILESC=CCCc1ccc(-c2ccc3c(F)c(OCC=C)c(OC(F)F)cc3c2)cc1
InChIInChI=1S/C24H21F3O2/c1-3-5-6-16-7-9-17(10-8-16)18-11-12-20-19(14-18)15-21(29-24(26)27)23(22(20)25)28-13-4-2/h3-4,7-12,14-15,24H,1-2,5-6,13H2
InChIKeyIULOFEGBFJZUCW-UHFFFAOYSA-N
XLogP6.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.42
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
2-but-2-enoxy-3-(difluoromethoxy)-6-(4-ethylphenyl)-1-fluoronaphthalene
CID 139861606
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466
4-(4-but-3-enylphenyl)-1-(difluoromethoxy)-2-fluorobenzene
CID 139764168
3-(difluoromethoxy)-6-ethyl-1-fluoro-2-(4-prop-2-enoxyphenyl)naphthalene
CID 139863838
2-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
CID 139863269
6-but-2-enoxy-3-(difluoromethoxy)-1-fluoro-2-[4-[(E)-pent-3-enyl]phenyl]naphthalene
CID 139863150
3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326
5-but-3-enyl-2-[6-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-5-fluoronaphthalen-2-yl]pyridine
CID 139874232
6-(4-but-3-enylphenyl)-1-fluoro-2-(trifluoromethyl)naphthalene
CID 139855517
1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene?
The IUPAC name of 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene (CID 139861394) is 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene.
What is the SMILES notation for 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene?
The canonical SMILES for 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene is C=CCCc1ccc(-c2ccc3c(F)c(OCC=C)c(OC(F)F)cc3c2)cc1.
What is the InChIKey of 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene?
The InChIKey is IULOFEGBFJZUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3O2/c1-3-5-6-16-7-9-17(10-8-16)18-11-12-20-19(14-18)15-21(29-24(26)27)23(22(20)25)28-13-4-2/h3-4,7-12,14-15,24H,1-2,5-6,13H2.
What are the key properties of 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene?
6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene has a molecular weight of 398.42 g/mol, XLogP of 6.93, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-2-prop-2-enoxynaphthalene is sourced from PubChem (CID 139861394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).