ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene

C10H15FO2 — CID 145138376

IUPACethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene
SMILESC=C.COC1=CC=C(OCF)CC1
InChIInChI=1S/C8H11FO2.C2H4/c1-10-7-2-4-8(5-3-7)11-6-9;1-2/h2,4H,3,5-6H2,1H3;1-2H2
InChIKeyNOHOSMOUOBDJBZ-UHFFFAOYSA-N
MW186.23 g/mol
LogP2.94
Rot. Bonds3

About ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene

ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene (PubChem CID 145138376) has the molecular formula C10H15FO2 and a molecular weight of 186.23 g/mol. Its IUPAC name is ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene.

Molecular Properties

Compound Nameethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene
PubChem CID145138376
Molecular FormulaC10H15FO2
Molecular Weight186.23 g/mol
Exact Mass186.11
IUPAC Nameethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene
SMILESC=C.COC1=CC=C(OCF)CC1
InChIInChI=1S/C8H11FO2.C2H4/c1-10-7-2-4-8(5-3-7)11-6-9;1-2/h2,4H,3,5-6H2,1H3;1-2H2
InChIKeyNOHOSMOUOBDJBZ-UHFFFAOYSA-N
XLogP2.94
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene?
The IUPAC name of ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene (CID 145138376) is ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene.
What is the SMILES notation for ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene?
The canonical SMILES for ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene is C=C.COC1=CC=C(OCF)CC1.
What is the InChIKey of ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene?
The InChIKey is NOHOSMOUOBDJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2.C2H4/c1-10-7-2-4-8(5-3-7)11-6-9;1-2/h2,4H,3,5-6H2,1H3;1-2H2.
What are the key properties of ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene?
ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene has a molecular weight of 186.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;1-(fluoromethoxy)-4-methoxycyclohexa-1,3-diene is sourced from PubChem (CID 145138376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).