2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene

C24H28F2O — CID 139863118

IUPAC2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
SMILESC=CCCc1ccc2cc(C3CCC(/C=C/C)CC3)ccc2c1OC(F)F
InChIInChI=1S/C24H28F2O/c1-3-5-7-19-12-13-21-16-20(14-15-22(21)23(19)27-24(25)26)18-10-8-17(6-4-2)9-11-18/h3-4,6,12-18,24H,1,5,7-11H2,2H3/b6-4+
InChIKeyPFWWDYOBQJVAHS-GQCTYLIASA-N
MW370.48 g/mol
LogP7.41
Rot. Bonds7

About 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene

2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene (PubChem CID 139863118) has the molecular formula C24H28F2O and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
PubChem CID139863118
Molecular FormulaC24H28F2O
Molecular Weight370.48 g/mol
Exact Mass370.21
IUPAC Name2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene
SMILESC=CCCc1ccc2cc(C3CCC(/C=C/C)CC3)ccc2c1OC(F)F
InChIInChI=1S/C24H28F2O/c1-3-5-7-19-12-13-21-16-20(14-15-22(21)23(19)27-24(25)26)18-10-8-17(6-4-2)9-11-18/h3-4,6,12-18,24H,1,5,7-11H2,2H3/b6-4+
InChIKeyPFWWDYOBQJVAHS-GQCTYLIASA-N
XLogP7.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.48
LogP ≤ 57.41
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-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
1-but-3-enyl-4-[4-[(E)-prop-1-enyl]cyclohexyl]benzene
CID 161061804
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783
6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
2-but-3-enyl-1-(difluoromethoxy)-6-(4-pentylphenyl)naphthalene
CID 139860637
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
CID 139862287
1-(difluoromethoxy)-2-ethyl-6-(4-pentylcyclohexyl)naphthalene
CID 139861191
6-but-3-enyl-1-fluoro-2-[4-[1-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]cyclohexyl]naphthalene
CID 139864185
6-[(2R,4aR)-6-methyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-but-3-enyl-1-fluoronaphthalene
CID 20807796
2-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-fluoro-6-(4-prop-2-enylcyclohexyl)naphthalene
CID 139871894
1-fluoro-2-methoxy-6-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]naphthalene
CID 139862049

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
The IUPAC name of 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene (CID 139863118) is 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene.
What is the SMILES notation for 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
The canonical SMILES for 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene is C=CCCc1ccc2cc(C3CCC(/C=C/C)CC3)ccc2c1OC(F)F.
What is the InChIKey of 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
The InChIKey is PFWWDYOBQJVAHS-GQCTYLIASA-N. The full InChI is InChI=1S/C24H28F2O/c1-3-5-7-19-12-13-21-16-20(14-15-22(21)23(19)27-24(25)26)18-10-8-17(6-4-2)9-11-18/h3-4,6,12-18,24H,1,5,7-11H2,2H3/b6-4+.
What are the key properties of 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene?
2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene has a molecular weight of 370.48 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enyl-1-(difluoromethoxy)-6-[4-[(E)-prop-1-enyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139863118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).