3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene

C24H27F3O — CID 139863745

IUPAC3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene
SMILESC=Cc1ccc2c(F)c(C3CCC(CC/C=C/C)CC3)c(OC(F)F)cc2c1
InChIInChI=1S/C24H27F3O/c1-3-5-6-7-17-8-11-18(12-9-17)22-21(28-24(26)27)15-19-14-16(4-2)10-13-20(19)23(22)25/h3-5,10,13-15,17-18,24H,2,6-9,11-12H2,1H3/b5-3+
InChIKeyYDPOQLYMUVOEEY-HWKANZROSA-N
MW388.47 g/mol
LogP7.85
Rot. Bonds7

About 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene

3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene (PubChem CID 139863745) has the molecular formula C24H27F3O and a molecular weight of 388.47 g/mol. Its IUPAC name is 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene.

Molecular Properties

Compound Name3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene
PubChem CID139863745
Molecular FormulaC24H27F3O
Molecular Weight388.47 g/mol
Exact Mass388.20
IUPAC Name3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene
SMILESC=Cc1ccc2c(F)c(C3CCC(CC/C=C/C)CC3)c(OC(F)F)cc2c1
InChIInChI=1S/C24H27F3O/c1-3-5-6-7-17-8-11-18(12-9-17)22-21(28-24(26)27)15-19-14-16(4-2)10-13-20(19)23(22)25/h3-5,10,13-15,17-18,24H,2,6-9,11-12H2,1H3/b5-3+
InChIKeyYDPOQLYMUVOEEY-HWKANZROSA-N
XLogP7.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 57.85
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

3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139862461
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-propylcyclohexyl)naphthalene
CID 139861063
6-but-3-enyl-3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)naphthalene
CID 139863906
3-(difluoromethoxy)-1-fluoro-2-(4-pentylcyclohexyl)-6-propylnaphthalene
CID 139863604
3-(difluoromethoxy)-2-(4-ethylcyclohexyl)-1-fluoro-6-pentylnaphthalene
CID 139860913
2-[2-[4-(difluoromethoxy)-3-fluorophenyl]ethyl]-1-fluoro-6-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]naphthalene
CID 139873730
1-fluoro-6-[4-[(E)-pent-3-enyl]cyclohexyl]-2-(trifluoromethyl)naphthalene
CID 139856609
2-(difluoromethoxy)-1,3-difluoro-5-[4-[2-[4-[(E)-hex-4-enyl]cyclohexyl]ethyl]cyclohexyl]benzene
CID 67589841
2-(difluoromethoxy)-1,3-difluoro-5-[2-[4-(4-pent-3-enylcyclohexyl)cyclohexyl]ethyl]benzene
CID 54007665
2-(4-but-3-enylcyclohexyl)-1-fluoro-6-[(E)-pent-3-enyl]naphthalene
CID 139861022
3-(difluoromethoxy)-1-fluoro-2-(4-prop-2-enoxyphenyl)-6-[(E)-prop-1-enyl]naphthalene
CID 139861326
6-[4-[2-(4-but-3-enylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139863783

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene?
The IUPAC name of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene (CID 139863745) is 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene.
What is the SMILES notation for 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene?
The canonical SMILES for 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene is C=Cc1ccc2c(F)c(C3CCC(CC/C=C/C)CC3)c(OC(F)F)cc2c1.
What is the InChIKey of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene?
The InChIKey is YDPOQLYMUVOEEY-HWKANZROSA-N. The full InChI is InChI=1S/C24H27F3O/c1-3-5-6-7-17-8-11-18(12-9-17)22-21(28-24(26)27)15-19-14-16(4-2)10-13-20(19)23(22)25/h3-5,10,13-15,17-18,24H,2,6-9,11-12H2,1H3/b5-3+.
What are the key properties of 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene?
3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene has a molecular weight of 388.47 g/mol, XLogP of 7.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-6-ethenyl-1-fluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]naphthalene is sourced from PubChem (CID 139863745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).