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

C15H18F2O — CID 143612329

IUPAC5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
SMILESC=CC1CC=C(C2C=CC(OC)=C(F)C2F)CC1
InChIInChI=1S/C15H18F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,6,8-10,12,14H,1,4-5,7H2,2H3
InChIKeyOAHMXMGOZRINHZ-UHFFFAOYSA-N
MW252.30 g/mol
LogP4.25
Rot. Bonds3

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

5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene (PubChem CID 143612329) has the molecular formula C15H18F2O and a molecular weight of 252.30 g/mol. Its IUPAC name is 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Name5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
PubChem CID143612329
Molecular FormulaC15H18F2O
Molecular Weight252.30 g/mol
Exact Mass252.13
IUPAC Name5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene
SMILESC=CC1CC=C(C2C=CC(OC)=C(F)C2F)CC1
InChIInChI=1S/C15H18F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,6,8-10,12,14H,1,4-5,7H2,2H3
InChIKeyOAHMXMGOZRINHZ-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.30
LogP ≤ 54.25
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

1-Propan-2-yl-2-(trifluoromethoxy)cyclohexa-1,3-diene
CID 19028649
2-(4-Propylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 54552566
2-(4-Octylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56606008
2-(4-Heptylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56610682
2-(4-Heptylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56612081
2-(4-Pentylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56623291
2-(4-Butylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56625178
2-(4-Ethylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56627504
2-(4-Hexylcyclohexen-1-yl)-5-(1,1,2,2,3-pentafluoropropoxy)cyclohexa-1,3-diene
CID 56630035
5-(1,1,2,2,3-Pentafluoropropoxy)-2-(4-pentylcyclohexen-1-yl)cyclohexa-1,3-diene
CID 56631037
2-(4-Butylcyclohexen-1-yl)-5-(2,2,2-trifluoroethoxy)cyclohexa-1,3-diene
CID 56631849
5-(1,1,2,2,3-Pentafluoropropoxy)-2-(4-propylcyclohexen-1-yl)cyclohexa-1,3-diene
CID 56634936

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
The IUPAC name of 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene (CID 143612329) is 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene.
What is the SMILES notation for 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
The canonical SMILES for 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene is C=CC1CC=C(C2C=CC(OC)=C(F)C2F)CC1.
What is the InChIKey of 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
The InChIKey is OAHMXMGOZRINHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O/c1-3-10-4-6-11(7-5-10)12-8-9-13(18-2)15(17)14(12)16/h3,6,8-10,12,14H,1,4-5,7H2,2H3.
What are the key properties of 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene?
5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene has a molecular weight of 252.30 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylcyclohexen-1-yl)-1,6-difluoro-2-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 143612329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).