5,5-difluorocycloheptene;ethane

C9H16F2 — CID 178087768

IUPAC5,5-difluorocycloheptene;ethane
SMILESCC.FC1(F)CCC=CCC1
InChIInChI=1S/C7H10F2.C2H6/c8-7(9)5-3-1-2-4-6-7;1-2/h1-2H,3-6H2;1-2H3
InChIKeyHGNKQZQNCWVLLO-UHFFFAOYSA-N
MW162.22 g/mol
LogP3.78
Rot. Bonds

About 5,5-difluorocycloheptene;ethane

5,5-difluorocycloheptene;ethane (PubChem CID 178087768) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is 5,5-difluorocycloheptene;ethane.

Molecular Properties

Compound Name5,5-difluorocycloheptene;ethane
PubChem CID178087768
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name5,5-difluorocycloheptene;ethane
SMILESCC.FC1(F)CCC=CCC1
InChIInChI=1S/C7H10F2.C2H6/c8-7(9)5-3-1-2-4-6-7;1-2/h1-2H,3-6H2;1-2H3
InChIKeyHGNKQZQNCWVLLO-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.78
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 5,5-difluorocycloheptene;ethane?
The IUPAC name of 5,5-difluorocycloheptene;ethane (CID 178087768) is 5,5-difluorocycloheptene;ethane.
What is the SMILES notation for 5,5-difluorocycloheptene;ethane?
The canonical SMILES for 5,5-difluorocycloheptene;ethane is CC.FC1(F)CCC=CCC1.
What is the InChIKey of 5,5-difluorocycloheptene;ethane?
The InChIKey is HGNKQZQNCWVLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2.C2H6/c8-7(9)5-3-1-2-4-6-7;1-2/h1-2H,3-6H2;1-2H3.
What are the key properties of 5,5-difluorocycloheptene;ethane?
5,5-difluorocycloheptene;ethane has a molecular weight of 162.22 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluorocycloheptene;ethane is sourced from PubChem (CID 178087768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).