[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate

C10H14F2O3 — CID 166581981

IUPAC[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate
SMILESO=COCOC1CC/C=C\C(F)(F)CC1
InChIInChI=1S/C10H14F2O3/c11-10(12)5-2-1-3-9(4-6-10)15-8-14-7-13/h2,5,7,9H,1,3-4,6,8H2/b5-2-
InChIKeyYCSPDSPEXJVJFN-DJWKRKHSSA-N
MW220.21 g/mol
LogP2.27
Rot. Bonds4

About [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate

[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate (PubChem CID 166581981) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate.

Molecular Properties

Compound Name[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate
PubChem CID166581981
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate
SMILESO=COCOC1CC/C=C\C(F)(F)CC1
InChIInChI=1S/C10H14F2O3/c11-10(12)5-2-1-3-9(4-6-10)15-8-14-7-13/h2,5,7,9H,1,3-4,6,8H2/b5-2-
InChIKeyYCSPDSPEXJVJFN-DJWKRKHSSA-N
XLogP2.27
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate?
The IUPAC name of [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate (CID 166581981) is [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate.
What is the SMILES notation for [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate?
The canonical SMILES for [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate is O=COCOC1CC/C=C\C(F)(F)CC1.
What is the InChIKey of [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate?
The InChIKey is YCSPDSPEXJVJFN-DJWKRKHSSA-N. The full InChI is InChI=1S/C10H14F2O3/c11-10(12)5-2-1-3-9(4-6-10)15-8-14-7-13/h2,5,7,9H,1,3-4,6,8H2/b5-2-.
What are the key properties of [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate?
[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate has a molecular weight of 220.21 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate is sourced from PubChem (CID 166581981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).