1-tert-butyl-3,3-difluorocyclopentene

C9H14F2 — CID 146602063

IUPAC1-tert-butyl-3,3-difluorocyclopentene
SMILESCC(C)(C)C1=CC(F)(F)CC1
InChIInChI=1S/C9H14F2/c1-8(2,3)7-4-5-9(10,11)6-7/h6H,4-5H2,1-3H3
InChIKeyZWCAYJKHZVZUPG-UHFFFAOYSA-N
MW160.21 g/mol
LogP3.39
Rot. Bonds

About 1-tert-butyl-3,3-difluorocyclopentene

1-tert-butyl-3,3-difluorocyclopentene (PubChem CID 146602063) has the molecular formula C9H14F2 and a molecular weight of 160.21 g/mol. Its IUPAC name is 1-tert-butyl-3,3-difluorocyclopentene.

Molecular Properties

Compound Name1-tert-butyl-3,3-difluorocyclopentene
PubChem CID146602063
Molecular FormulaC9H14F2
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Name1-tert-butyl-3,3-difluorocyclopentene
SMILESCC(C)(C)C1=CC(F)(F)CC1
InChIInChI=1S/C9H14F2/c1-8(2,3)7-4-5-9(10,11)6-7/h6H,4-5H2,1-3H3
InChIKeyZWCAYJKHZVZUPG-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 53.39
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-tert-butyl-3,3-difluorocyclopentene?
The IUPAC name of 1-tert-butyl-3,3-difluorocyclopentene (CID 146602063) is 1-tert-butyl-3,3-difluorocyclopentene.
What is the SMILES notation for 1-tert-butyl-3,3-difluorocyclopentene?
The canonical SMILES for 1-tert-butyl-3,3-difluorocyclopentene is CC(C)(C)C1=CC(F)(F)CC1.
What is the InChIKey of 1-tert-butyl-3,3-difluorocyclopentene?
The InChIKey is ZWCAYJKHZVZUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2/c1-8(2,3)7-4-5-9(10,11)6-7/h6H,4-5H2,1-3H3.
What are the key properties of 1-tert-butyl-3,3-difluorocyclopentene?
1-tert-butyl-3,3-difluorocyclopentene has a molecular weight of 160.21 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3,3-difluorocyclopentene is sourced from PubChem (CID 146602063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).