(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol

C8H12F2O2 — CID 146507174

IUPAC(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol
SMILESOC1/C=C\CCCC(O)C1(F)F
InChIInChI=1S/C8H12F2O2/c9-8(10)6(11)4-2-1-3-5-7(8)12/h2,4,6-7,11-12H,1,3,5H2/b4-2-
InChIKeyUHEMRWPQVWNVTP-RQOWECAXSA-N
MW178.18 g/mol
LogP1.08
Rot. Bonds

About (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol

(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol (PubChem CID 146507174) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol.

Molecular Properties

Compound Name(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol
PubChem CID146507174
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol
SMILESOC1/C=C\CCCC(O)C1(F)F
InChIInChI=1S/C8H12F2O2/c9-8(10)6(11)4-2-1-3-5-7(8)12/h2,4,6-7,11-12H,1,3,5H2/b4-2-
InChIKeyUHEMRWPQVWNVTP-RQOWECAXSA-N
XLogP1.08
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol?
The IUPAC name of (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol (CID 146507174) is (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol.
What is the SMILES notation for (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol?
The canonical SMILES for (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol is OC1/C=C\CCCC(O)C1(F)F.
What is the InChIKey of (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol?
The InChIKey is UHEMRWPQVWNVTP-RQOWECAXSA-N. The full InChI is InChI=1S/C8H12F2O2/c9-8(10)6(11)4-2-1-3-5-7(8)12/h2,4,6-7,11-12H,1,3,5H2/b4-2-.
What are the key properties of (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol?
(4Z)-2,2-difluorocyclooct-4-ene-1,3-diol has a molecular weight of 178.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2,2-difluorocyclooct-4-ene-1,3-diol is sourced from PubChem (CID 146507174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).