2-fluoro-1,3,4-trimethylcyclopentene

C8H13F — CID 58995685

IUPAC2-fluoro-1,3,4-trimethylcyclopentene
SMILESCC1=C(F)C(C)C(C)C1
InChIInChI=1S/C8H13F/c1-5-4-6(2)8(9)7(5)3/h5,7H,4H2,1-3H3
InChIKeyNADRZFVIHYHRET-UHFFFAOYSA-N
MW128.19 g/mol
LogP2.91
Rot. Bonds

About 2-fluoro-1,3,4-trimethylcyclopentene

2-fluoro-1,3,4-trimethylcyclopentene (PubChem CID 58995685) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 2-fluoro-1,3,4-trimethylcyclopentene.

Molecular Properties

Compound Name2-fluoro-1,3,4-trimethylcyclopentene
PubChem CID58995685
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name2-fluoro-1,3,4-trimethylcyclopentene
SMILESCC1=C(F)C(C)C(C)C1
InChIInChI=1S/C8H13F/c1-5-4-6(2)8(9)7(5)3/h5,7H,4H2,1-3H3
InChIKeyNADRZFVIHYHRET-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3,4-trimethylcyclopentene?
The IUPAC name of 2-fluoro-1,3,4-trimethylcyclopentene (CID 58995685) is 2-fluoro-1,3,4-trimethylcyclopentene.
What is the SMILES notation for 2-fluoro-1,3,4-trimethylcyclopentene?
The canonical SMILES for 2-fluoro-1,3,4-trimethylcyclopentene is CC1=C(F)C(C)C(C)C1.
What is the InChIKey of 2-fluoro-1,3,4-trimethylcyclopentene?
The InChIKey is NADRZFVIHYHRET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-5-4-6(2)8(9)7(5)3/h5,7H,4H2,1-3H3.
What are the key properties of 2-fluoro-1,3,4-trimethylcyclopentene?
2-fluoro-1,3,4-trimethylcyclopentene has a molecular weight of 128.19 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3,4-trimethylcyclopentene is sourced from PubChem (CID 58995685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).