(1Z)-3,3-difluorocyclooctene

C8H12F2 — CID 129263045

IUPAC(1Z)-3,3-difluorocyclooctene
SMILESFC1(F)/C=C\CCCCC1
InChIInChI=1S/C8H12F2/c9-8(10)6-4-2-1-3-5-7-8/h4,6H,1-3,5,7H2/b6-4-
InChIKeyRDEGLOWAAZUNQP-XQRVVYSFSA-N
MW146.18 g/mol
LogP3.14
Rot. Bonds

About (1Z)-3,3-difluorocyclooctene

(1Z)-3,3-difluorocyclooctene (PubChem CID 129263045) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is (1Z)-3,3-difluorocyclooctene.

Molecular Properties

Compound Name(1Z)-3,3-difluorocyclooctene
PubChem CID129263045
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name(1Z)-3,3-difluorocyclooctene
SMILESFC1(F)/C=C\CCCCC1
InChIInChI=1S/C8H12F2/c9-8(10)6-4-2-1-3-5-7-8/h4,6H,1-3,5,7H2/b6-4-
InChIKeyRDEGLOWAAZUNQP-XQRVVYSFSA-N
XLogP3.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 (1Z)-3,3-difluorocyclooctene?
The IUPAC name of (1Z)-3,3-difluorocyclooctene (CID 129263045) is (1Z)-3,3-difluorocyclooctene.
What is the SMILES notation for (1Z)-3,3-difluorocyclooctene?
The canonical SMILES for (1Z)-3,3-difluorocyclooctene is FC1(F)/C=C\CCCCC1.
What is the InChIKey of (1Z)-3,3-difluorocyclooctene?
The InChIKey is RDEGLOWAAZUNQP-XQRVVYSFSA-N. The full InChI is InChI=1S/C8H12F2/c9-8(10)6-4-2-1-3-5-7-8/h4,6H,1-3,5,7H2/b6-4-.
What are the key properties of (1Z)-3,3-difluorocyclooctene?
(1Z)-3,3-difluorocyclooctene has a molecular weight of 146.18 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,3-difluorocyclooctene is sourced from PubChem (CID 129263045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).