4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane

C11H20F2 — CID 144730530

IUPAC4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
SMILESCC.CC1(C)C=CC(C)(C)C1(F)F
InChIInChI=1S/C9H14F2.C2H6/c1-7(2)5-6-8(3,4)9(7,10)11;1-2/h5-6H,1-4H3;1-2H3
InChIKeyJTMVKFIHMARCTQ-UHFFFAOYSA-N
MW190.28 g/mol
LogP4.27
Rot. Bonds

About 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane

4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane (PubChem CID 144730530) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane.

Molecular Properties

Compound Name4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
PubChem CID144730530
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Name4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane
SMILESCC.CC1(C)C=CC(C)(C)C1(F)F
InChIInChI=1S/C9H14F2.C2H6/c1-7(2)5-6-8(3,4)9(7,10)11;1-2/h5-6H,1-4H3;1-2H3
InChIKeyJTMVKFIHMARCTQ-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1-difluoro-2,2,3,3-tetramethylcyclopropane
CID 576606
4,4-ditert-butyl-3,3,5,5-tetramethylcyclopentene;ethane
CID 144805565
1,1,2,2,3,3,4,4,5,6-decafluoro-5,6-dimethylcyclohexane
CID 22593150
1,1,2,2,3,4,4,5-octafluoro-3,5-dimethylcyclopentane
CID 89333717
3,3,4,4,5,5,6,6-octafluorocyclohexene
CID 13054
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
1,1-difluoro-2,2,3,3,4,4,5,5,6,6-decamethylcyclohexane
CID 68649915
benzene;ethane;molecular fluorine
CID 160701586
3,3-ditert-butyl-4,4,5,5-tetramethylcyclopentene;ethane;dihydroiodide
CID 142335748
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
benzene;ethane
CID 18504552

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane?
The IUPAC name of 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane (CID 144730530) is 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane.
What is the SMILES notation for 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane?
The canonical SMILES for 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane is CC.CC1(C)C=CC(C)(C)C1(F)F.
What is the InChIKey of 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane?
The InChIKey is JTMVKFIHMARCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2.C2H6/c1-7(2)5-6-8(3,4)9(7,10)11;1-2/h5-6H,1-4H3;1-2H3.
What are the key properties of 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane?
4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane has a molecular weight of 190.28 g/mol, XLogP of 4.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3,3,5,5-tetramethylcyclopentene;ethane is sourced from PubChem (CID 144730530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).