methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate

C7H11FO3 — CID 67396824

IUPACmethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(O)C(F)C1
InChIInChI=1S/C7H11FO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-6,9H,2-3H2,1H3
InChIKeyRCABWLOYEULSPO-UHFFFAOYSA-N
MW162.16 g/mol
LogP0.27
Rot. Bonds1

About methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate

methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate (PubChem CID 67396824) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate
PubChem CID67396824
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Namemethyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate
SMILESCOC(=O)C1CC(O)C(F)C1
InChIInChI=1S/C7H11FO3/c1-11-7(10)4-2-5(8)6(9)3-4/h4-6,9H,2-3H2,1H3
InChIKeyRCABWLOYEULSPO-UHFFFAOYSA-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 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The IUPAC name of methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate (CID 67396824) is methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate is COC(=O)C1CC(O)C(F)C1.
What is the InChIKey of methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
The InChIKey is RCABWLOYEULSPO-UHFFFAOYSA-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.
What are the key properties of methyl 3-fluoro-4-hydroxycyclopentane-1-carboxylate?
methyl 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 3-fluoro-4-hydroxycyclopentane-1-carboxylate is sourced from PubChem (CID 67396824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).