1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol

C11H18F2O2 — CID 163789035

IUPAC1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)OC1C=CCCCCC1
InChIInChI=1S/C11H18F2O2/c1-11(12,13)10(14)15-9-7-5-3-2-4-6-8-9/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyMVBVKUYAAQFNAI-UHFFFAOYSA-N
MW220.26 g/mol
LogP2.87
Rot. Bonds3

About 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol

1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol (PubChem CID 163789035) has the molecular formula C11H18F2O2 and a molecular weight of 220.26 g/mol. Its IUPAC name is 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol
PubChem CID163789035
Molecular FormulaC11H18F2O2
Molecular Weight220.26 g/mol
Exact Mass220.13
IUPAC Name1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol
SMILESCC(F)(F)C(O)OC1C=CCCCCC1
InChIInChI=1S/C11H18F2O2/c1-11(12,13)10(14)15-9-7-5-3-2-4-6-8-9/h5,7,9-10,14H,2-4,6,8H2,1H3
InChIKeyMVBVKUYAAQFNAI-UHFFFAOYSA-N
XLogP2.87
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.26
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol?
The IUPAC name of 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol (CID 163789035) is 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol.
What is the SMILES notation for 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol?
The canonical SMILES for 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol is CC(F)(F)C(O)OC1C=CCCCCC1.
What is the InChIKey of 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol?
The InChIKey is MVBVKUYAAQFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O2/c1-11(12,13)10(14)15-9-7-5-3-2-4-6-8-9/h5,7,9-10,14H,2-4,6,8H2,1H3.
What are the key properties of 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol?
1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol has a molecular weight of 220.26 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclooct-2-en-1-yloxy-2,2-difluoropropan-1-ol is sourced from PubChem (CID 163789035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).