[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate

C8H13FO2 — CID 126664181

IUPAC[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](F)CC1C
InChIInChI=1S/C8H13FO2/c1-5-3-7(9)4-8(5)11-6(2)10/h5,7-8H,3-4H2,1-2H3/t5?,7-,8-/m0/s1
InChIKeyPKOMTWXORZIEHB-TWELXNIESA-N
MW160.19 g/mol
LogP1.69
Rot. Bonds1

About [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate

[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate (PubChem CID 126664181) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate.

Molecular Properties

Compound Name[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
PubChem CID126664181
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](F)CC1C
InChIInChI=1S/C8H13FO2/c1-5-3-7(9)4-8(5)11-6(2)10/h5,7-8H,3-4H2,1-2H3/t5?,7-,8-/m0/s1
InChIKeyPKOMTWXORZIEHB-TWELXNIESA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265
[(1S,4S)-4-fluoro-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 126664177
[(1S,2R,3R,4R,5R)-2,3,4-triacetyloxy-5-methylcyclohexyl] acetate
CID 170294536
[(1R,2R,3R,4R)-2,3,4-triacetyloxycyclopentyl] acetate
CID 101209546
[(1S,2R)-2-acetyloxy-4-hydroxycyclopentyl] acetate
CID 67582047
[(1R,2R,4S,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanyl] acetate
CID 91752707
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
[(1S,2S,5S,6R)-6-methyl-2-bicyclo[3.3.1]nonanyl] acetate
CID 3086252
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
[(1R,2S,3R,4S)-4-hydroxy-2,3-dimethylcyclopentyl] acetate
CID 130206896
[(1R)-2-methyl-5-prop-1-en-2-ylcyclohexyl] acetate
CID 102064475

Frequently Asked Questions

What is the IUPAC name of [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate?
The IUPAC name of [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate (CID 126664181) is [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate.
What is the SMILES notation for [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate?
The canonical SMILES for [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate is CC(=O)O[C@H]1C[C@@H](F)CC1C.
What is the InChIKey of [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate?
The InChIKey is PKOMTWXORZIEHB-TWELXNIESA-N. The full InChI is InChI=1S/C8H13FO2/c1-5-3-7(9)4-8(5)11-6(2)10/h5,7-8H,3-4H2,1-2H3/t5?,7-,8-/m0/s1.
What are the key properties of [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate?
[(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate has a molecular weight of 160.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4S)-4-fluoro-2-methylcyclopentyl] acetate is sourced from PubChem (CID 126664181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).