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

C24H29F3O — CID 139861063

IUPAC6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
SMILESC=CCCc1ccc2c(F)c(C3CCC(CCC)CC3)c(OC(F)F)cc2c1
InChIInChI=1S/C24H29F3O/c1-3-5-7-17-10-13-20-19(14-17)15-21(28-24(26)27)22(23(20)25)18-11-8-16(6-4-2)9-12-18/h3,10,13-16,18,24H,1,4-9,11-12H2,2H3
InChIKeyJSEBDLIQRXRBLZ-UHFFFAOYSA-N
MW390.49 g/mol
LogP7.77
Rot. Bonds8

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

6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene (PubChem CID 139861063) has the molecular formula C24H29F3O and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene.

Molecular Properties

Compound Name6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
PubChem CID139861063
Molecular FormulaC24H29F3O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
SMILESC=CCCc1ccc2c(F)c(C3CCC(CCC)CC3)c(OC(F)F)cc2c1
InChIInChI=1S/C24H29F3O/c1-3-5-7-17-10-13-20-19(14-17)15-21(28-24(26)27)22(23(20)25)18-11-8-16(6-4-2)9-12-18/h3,10,13-16,18,24H,1,4-9,11-12H2,2H3
InChIKeyJSEBDLIQRXRBLZ-UHFFFAOYSA-N
XLogP7.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 57.77
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

6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139862461
3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene
CID 139863604
3-(difluoromethoxy)-2-(4-ethylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139860913
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene
CID 139863745
6-but-3-enyl-2-(4-but-3-enylcyclohexyl)-1-fluoronaphthalene
CID 139863366
6-but-3-enyl-1-fluoro-2-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876482
2-but-3-enyl-3-(difluoromethoxy)-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139860531
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139863041
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-methoxynaphthalene
CID 139863466

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
The IUPAC name of 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene (CID 139861063) is 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene.
What is the SMILES notation for 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
The canonical SMILES for 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene is C=CCCc1ccc2c(F)c(C3CCC(CCC)CC3)c(OC(F)F)cc2c1.
What is the InChIKey of 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
The InChIKey is JSEBDLIQRXRBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3O/c1-3-5-7-17-10-13-20-19(14-17)15-21(28-24(26)27)22(23(20)25)18-11-8-16(6-4-2)9-12-18/h3,10,13-16,18,24H,1,4-9,11-12H2,2H3.
What are the key properties of 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene?
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene has a molecular weight of 390.49 g/mol, XLogP of 7.77, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene is sourced from PubChem (CID 139861063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).