2-fluoro-1-propan-2-ylcyclopenta-1,3-diene

C8H11F — CID 58130142

IUPAC2-fluoro-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=C(F)C=CC1
InChIInChI=1S/C8H11F/c1-6(2)7-4-3-5-8(7)9/h3,5-6H,4H2,1-2H3
InChIKeyUJBZIFBZSGLWIG-UHFFFAOYSA-N
MW126.17 g/mol
LogP2.83
Rot. Bonds1

About 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene

2-fluoro-1-propan-2-ylcyclopenta-1,3-diene (PubChem CID 58130142) has the molecular formula C8H11F and a molecular weight of 126.17 g/mol. Its IUPAC name is 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene.

Molecular Properties

Compound Name2-fluoro-1-propan-2-ylcyclopenta-1,3-diene
PubChem CID58130142
Molecular FormulaC8H11F
Molecular Weight126.17 g/mol
Exact Mass126.08
IUPAC Name2-fluoro-1-propan-2-ylcyclopenta-1,3-diene
SMILESCC(C)C1=C(F)C=CC1
InChIInChI=1S/C8H11F/c1-6(2)7-4-3-5-8(7)9/h3,5-6H,4H2,1-2H3
InChIKeyUJBZIFBZSGLWIG-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

5-Butyl-1,3-cyclopentadiene
CID 528183
1-Ethyl-5,5-dimethylcyclopenta-1,3-diene
CID 572141
trans-Dihydroocimene
CID 5463450
Tert-butylcyclopentadiene
CID 633714
1,3-Cyclopentadiene, 2-(1-methylethyl)
CID 528172
3,7-Dimethyl-1,3-octadiene
CID 92255
3-Fluoro-3,7-dimethylocta-1,6-diene
CID 14382157
1,2,4,5-Tetramethylcyclopenta-1,3-diene
CID 2734047
1,3-Cyclopentadiene, 1-(1-methylethyl)
CID 528163
1,3-Cyclopentadiene, 5-propyl
CID 528188
Dihydromesitylen
CID 12751002
1,5-Dimethylcyclohexa-1,3-diene
CID 15336281

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene?
The IUPAC name of 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene (CID 58130142) is 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene.
What is the SMILES notation for 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene?
The canonical SMILES for 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene is CC(C)C1=C(F)C=CC1.
What is the InChIKey of 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene?
The InChIKey is UJBZIFBZSGLWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F/c1-6(2)7-4-3-5-8(7)9/h3,5-6H,4H2,1-2H3.
What are the key properties of 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene?
2-fluoro-1-propan-2-ylcyclopenta-1,3-diene has a molecular weight of 126.17 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-propan-2-ylcyclopenta-1,3-diene is sourced from PubChem (CID 58130142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).