(1Z)-3,3-difluoro-4-methoxycyclooctene

C9H14F2O — CID 130391915

IUPAC(1Z)-3,3-difluoro-4-methoxycyclooctene
SMILESCOC1CCCC/C=C\C1(F)F
InChIInChI=1S/C9H14F2O/c1-12-8-6-4-2-3-5-7-9(8,10)11/h5,7-8H,2-4,6H2,1H3/b7-5-
InChIKeyIYMAFFCXOMDPEN-ALCCZGGFSA-N
MW176.21 g/mol
LogP2.77
Rot. Bonds1

About (1Z)-3,3-difluoro-4-methoxycyclooctene

(1Z)-3,3-difluoro-4-methoxycyclooctene (PubChem CID 130391915) has the molecular formula C9H14F2O and a molecular weight of 176.21 g/mol. Its IUPAC name is (1Z)-3,3-difluoro-4-methoxycyclooctene.

Molecular Properties

Compound Name(1Z)-3,3-difluoro-4-methoxycyclooctene
PubChem CID130391915
Molecular FormulaC9H14F2O
Molecular Weight176.21 g/mol
Exact Mass176.10
IUPAC Name(1Z)-3,3-difluoro-4-methoxycyclooctene
SMILESCOC1CCCC/C=C\C1(F)F
InChIInChI=1S/C9H14F2O/c1-12-8-6-4-2-3-5-7-9(8,10)11/h5,7-8H,2-4,6H2,1H3/b7-5-
InChIKeyIYMAFFCXOMDPEN-ALCCZGGFSA-N
XLogP2.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z)-3,3-difluoro-4-methoxycyclooctene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,3-difluoro-4-methoxycyclooctene?
The IUPAC name of (1Z)-3,3-difluoro-4-methoxycyclooctene (CID 130391915) is (1Z)-3,3-difluoro-4-methoxycyclooctene.
What is the SMILES notation for (1Z)-3,3-difluoro-4-methoxycyclooctene?
The canonical SMILES for (1Z)-3,3-difluoro-4-methoxycyclooctene is COC1CCCC/C=C\C1(F)F.
What is the InChIKey of (1Z)-3,3-difluoro-4-methoxycyclooctene?
The InChIKey is IYMAFFCXOMDPEN-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H14F2O/c1-12-8-6-4-2-3-5-7-9(8,10)11/h5,7-8H,2-4,6H2,1H3/b7-5-.
What are the key properties of (1Z)-3,3-difluoro-4-methoxycyclooctene?
(1Z)-3,3-difluoro-4-methoxycyclooctene has a molecular weight of 176.21 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3-difluoro-4-methoxycyclooctene is sourced from PubChem (CID 130391915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).