[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate

C10H14F2O3 — CID 146370502

IUPAC[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CCCC/C=C\C1(F)F
InChIInChI=1S/C10H14F2O3/c1-14-9(13)15-8-6-4-2-3-5-7-10(8,11)12/h5,7-8H,2-4,6H2,1H3/b7-5-
InChIKeyHUIOCBJFRUWMQJ-ALCCZGGFSA-N
MW220.21 g/mol
LogP2.90
Rot. Bonds1

About [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate

[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate (PubChem CID 146370502) has the molecular formula C10H14F2O3 and a molecular weight of 220.21 g/mol. Its IUPAC name is [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate.

Molecular Properties

Compound Name[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate
PubChem CID146370502
Molecular FormulaC10H14F2O3
Molecular Weight220.21 g/mol
Exact Mass220.09
IUPAC Name[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate
SMILESCOC(=O)OC1CCCC/C=C\C1(F)F
InChIInChI=1S/C10H14F2O3/c1-14-9(13)15-8-6-4-2-3-5-7-10(8,11)12/h5,7-8H,2-4,6H2,1H3/b7-5-
InChIKeyHUIOCBJFRUWMQJ-ALCCZGGFSA-N
XLogP2.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.21
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Carbonic acid, 4-cycloocten-1-yl methyl ester
CID 5463762
Cyclooct-4-en-1-yl methyl carbonate
CID 54027559
3,3-Difluoro-4-methoxycyclooctene
CID 123637977
(1Z)-3,3-difluoro-4-methoxycyclooctene
CID 130391915
[(4Z)-6,6-difluorocyclooct-4-en-1-yl]oxymethyl formate
CID 166581981
(6,6-Difluorocyclooct-4-en-1-yl) hydrogen carbonate
CID 153658357
[(3Z)-8-methoxycarbonyloxycyclooct-3-en-1-yl] methyl carbonate
CID 18541565
[(4Z)-cyclooct-4-en-1-yl] ethyl carbonate
CID 20437243
[(3Z)-cyclooct-3-en-1-yl] methyl carbonate
CID 23092735
Cyclooct-4-en-1-yl ethyl carbonate
CID 54145787
Cyclooct-3-en-1-yl methyl carbonate
CID 68739941
(2-Methoxycarbonyloxycyclooct-4-en-1-yl) methyl carbonate
CID 68740025

Frequently Asked Questions

What is the IUPAC name of [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate?
The IUPAC name of [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate (CID 146370502) is [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate.
What is the SMILES notation for [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate?
The canonical SMILES for [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate is COC(=O)OC1CCCC/C=C\C1(F)F.
What is the InChIKey of [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate?
The InChIKey is HUIOCBJFRUWMQJ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H14F2O3/c1-14-9(13)15-8-6-4-2-3-5-7-10(8,11)12/h5,7-8H,2-4,6H2,1H3/b7-5-.
What are the key properties of [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate?
[(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate has a molecular weight of 220.21 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z)-2,2-difluorocyclooct-3-en-1-yl] methyl carbonate is sourced from PubChem (CID 146370502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).