methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate

C7H11FO3 — CID 59178201

IUPACmethyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C7H11FO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-6,9H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKeyRCABWLOYEULSPO-KVQBGUIXSA-N
MW162.16 g/mol
LogP0.27
Rot. Bonds1

About methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate

methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate (PubChem CID 59178201) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate
PubChem CID59178201
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namemethyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](O)[C@H](F)C1
InChIInChI=1S/C7H11FO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-6,9H,2-3H2,1H3/t4-,5+,6+/m0/s1
InChIKeyRCABWLOYEULSPO-KVQBGUIXSA-N
XLogP0.27
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate (CID 59178201) is methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate is COC(=O)[C@@H]1C[C@@H](O)[C@H](F)C1.
What is the InChIKey of methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The InChIKey is RCABWLOYEULSPO-KVQBGUIXSA-N. The full InChI is InChI=1S/C7H11FO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-6,9H,2-3H2,1H3/t4-,5+,6+/m0/s1.
What are the key properties of methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate?
methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate has a molecular weight of 162.16 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,3R,4R)-3-fluoro-4-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 59178201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).