[(1S,2S)-2-fluorocyclohexyl] acetate

C8H13FO2 — CID 45090703

IUPAC[(1S,2S)-2-fluorocyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C8H13FO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyXGBGBUKGTPCIGJ-YUMQZZPRSA-N
MW160.19 g/mol
LogP1.83
Rot. Bonds1

About [(1S,2S)-2-fluorocyclohexyl] acetate

[(1S,2S)-2-fluorocyclohexyl] acetate (PubChem CID 45090703) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is [(1S,2S)-2-fluorocyclohexyl] acetate.

Molecular Properties

Compound Name[(1S,2S)-2-fluorocyclohexyl] acetate
PubChem CID45090703
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Name[(1S,2S)-2-fluorocyclohexyl] acetate
SMILESCC(=O)O[C@H]1CCCC[C@@H]1F
InChIInChI=1S/C8H13FO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3/t7-,8-/m0/s1
InChIKeyXGBGBUKGTPCIGJ-YUMQZZPRSA-N
XLogP1.83
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 ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-fluorocyclopentyl) 2-methylprop-2-enoate
CID 175110305
[(1R,2R)-2-methylcyclohexyl] acetate
CID 12705473
[(1R)-2-methoxycyclohexyl] acetate
CID 54050527
[(1S,2S)-2-fluorocycloheptyl] 2-chloroacetate
CID 102243983
[(1S,2S)-2-methylcyclopentyl] acetate
CID 22212873
[(4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl] acetate
CID 66824801
[(2S)-2-methylsulfinylcyclohexyl] acetate
CID 145097634
1-chloropropyl (2-fluorocyclohexyl) carbonate
CID 89413864
cis-(1S,2R)-1-fluoro-2-methoxycyclohexane
CID 12700790
(6-acetyloxycyclodecyl) acetate
CID 539578
(3-fluorooxan-2-yl) acetate
CID 134578078
[(1R,2S,4R,5S)-2,4,5-triacetyloxycyclohexyl] acetate
CID 12026265

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-fluorocyclohexyl] acetate?
The IUPAC name of [(1S,2S)-2-fluorocyclohexyl] acetate (CID 45090703) is [(1S,2S)-2-fluorocyclohexyl] acetate.
What is the SMILES notation for [(1S,2S)-2-fluorocyclohexyl] acetate?
The canonical SMILES for [(1S,2S)-2-fluorocyclohexyl] acetate is CC(=O)O[C@H]1CCCC[C@@H]1F.
What is the InChIKey of [(1S,2S)-2-fluorocyclohexyl] acetate?
The InChIKey is XGBGBUKGTPCIGJ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H13FO2/c1-6(10)11-8-5-3-2-4-7(8)9/h7-8H,2-5H2,1H3/t7-,8-/m0/s1.
What are the key properties of [(1S,2S)-2-fluorocyclohexyl] acetate?
[(1S,2S)-2-fluorocyclohexyl] acetate has a molecular weight of 160.19 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-fluorocyclohexyl] acetate is sourced from PubChem (CID 45090703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).