1,2-dimethylcyclopentene;molecular fluorine

C7H12F6 — CID 157100565

IUPAC1,2-dimethylcyclopentene;molecular fluorine
SMILESCC1=C(C)CCC1.FF.FF.FF
InChIInChI=1S/C7H12.3F2/c1-6-4-3-5-7(6)2;3*1-2/h3-5H2,1-2H3;;;
InChIKeyAFSHBGHTXJSHMH-UHFFFAOYSA-N
MW210.16 g/mol
LogP5.03
Rot. Bonds

About 1,2-dimethylcyclopentene;molecular fluorine

1,2-dimethylcyclopentene;molecular fluorine (PubChem CID 157100565) has the molecular formula C7H12F6 and a molecular weight of 210.16 g/mol. Its IUPAC name is 1,2-dimethylcyclopentene;molecular fluorine.

Molecular Properties

Compound Name1,2-dimethylcyclopentene;molecular fluorine
PubChem CID157100565
Molecular FormulaC7H12F6
Molecular Weight210.16 g/mol
Exact Mass210.08
IUPAC Name1,2-dimethylcyclopentene;molecular fluorine
SMILESCC1=C(C)CCC1.FF.FF.FF
InChIInChI=1S/C7H12.3F2/c1-6-4-3-5-7(6)2;3*1-2/h3-5H2,1-2H3;;;
InChIKeyAFSHBGHTXJSHMH-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500210.16
LogP ≤ 55.03
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 1,2-dimethylcyclopentene;molecular fluorine?
The IUPAC name of 1,2-dimethylcyclopentene;molecular fluorine (CID 157100565) is 1,2-dimethylcyclopentene;molecular fluorine.
What is the SMILES notation for 1,2-dimethylcyclopentene;molecular fluorine?
The canonical SMILES for 1,2-dimethylcyclopentene;molecular fluorine is CC1=C(C)CCC1.FF.FF.FF.
What is the InChIKey of 1,2-dimethylcyclopentene;molecular fluorine?
The InChIKey is AFSHBGHTXJSHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12.3F2/c1-6-4-3-5-7(6)2;3*1-2/h3-5H2,1-2H3;;;.
What are the key properties of 1,2-dimethylcyclopentene;molecular fluorine?
1,2-dimethylcyclopentene;molecular fluorine has a molecular weight of 210.16 g/mol, XLogP of 5.03, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylcyclopentene;molecular fluorine is sourced from PubChem (CID 157100565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).