5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene

C15H20F2O — CID 66612983

IUPAC5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
SMILESC=CC1CCC(C2C=CC(OC)=C(F)C2F)CC1
InChIInChI=1S/C15H20F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,8-12,14H,1,4-7H2,2H3
InChIKeyLLMWOGVOVVTYPX-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.33
Rot. Bonds3

About 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene

5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene (PubChem CID 66612983) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
PubChem CID66612983
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
SMILESC=CC1CCC(C2C=CC(OC)=C(F)C2F)CC1
InChIInChI=1S/C15H20F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,8-12,14H,1,4-7H2,2H3
InChIKeyLLMWOGVOVVTYPX-UHFFFAOYSA-N
XLogP4.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.33
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-(4-ethenylcyclohexyl)-6-[(6Z,8E)-8-ethoxy-4-ethyl-6,7-difluorodeca-6,8-dienyl]-1,2-difluorocyclohexene
CID 88953178
3-[(E)-2-[4-[(2E,4E)-4-ethoxy-2-fluorohepta-2,4-dienyl]cyclohexyl]ethenyl]-1,2-difluoro-6-(4-propylcyclohexyl)cyclohexa-1,3-diene
CID 88953288
1-[(2E,4E,6E)-6-fluoro-5-(trifluoromethoxy)octa-2,4,6-trien-2-yl]-4-(4-methylcyclohexyl)cyclohexane
CID 89202331
2-(Fluoromethoxy)-7-(5-methylheptan-2-yl)cycloocta-1,3-diene
CID 91288012
1,6-Difluoro-2-methoxy-5-propan-2-ylcyclohexa-1,3-diene
CID 91509624
1-Fluoro-7-methyl-5-[3-methyl-4-(4-propylcyclohexyl)hepta-2,4-dienyl]-2-(trifluoromethoxy)cyclohepta-1,3,5-triene
CID 123947876
1-[(1Z,3Z)-4-ethoxy-2,3-difluorohexa-1,3,5-trienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 126727554
1-ethyl-4-[4-[(2Z,4E)-4-(trifluoromethoxy)hexa-2,4-dienyl]cyclohexyl]cyclohexane
CID 129130662
2-Ethoxy-1,6-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 130282214
1-[(1E,3E,5Z)-4-ethoxy-5,6-difluorohexa-1,3,5-trienyl]-4-(4-methylcyclohexyl)cyclohexane
CID 130373809
5-Methoxy-2-[4-(5,5,5-trifluoropentyl)cyclohexyl]cyclohexa-1,3-diene
CID 132238252
1-butyl-4-[4-[(4Z,6E)-6-(trifluoromethoxy)octa-4,6-dien-3-yl]cyclohexyl]cyclohexane
CID 134173885

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene (CID 66612983) is 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene is C=CC1CCC(C2C=CC(OC)=C(F)C2F)CC1.
What is the InChIKey of 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
The InChIKey is LLMWOGVOVVTYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,8-12,14H,1,4-7H2,2H3.
What are the key properties of 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene has a molecular weight of 254.32 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylcyclohexyl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 66612983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).