methyl 3-fluorocyclopentane-1-carboxylate

C7H11FO2 — CID 119054924

IUPACmethyl 3-fluorocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(F)C1
InChIInChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3
InChIKeyZYRURXXPYRQMTJ-UHFFFAOYSA-N
MW146.16 g/mol
LogP1.30
Rot. Bonds1

About methyl 3-fluorocyclopentane-1-carboxylate

methyl 3-fluorocyclopentane-1-carboxylate (PubChem CID 119054924) has the molecular formula C7H11FO2 and a molecular weight of 146.16 g/mol. Its IUPAC name is methyl 3-fluorocyclopentane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluorocyclopentane-1-carboxylate
PubChem CID119054924
Molecular FormulaC7H11FO2
Molecular Weight146.16 g/mol
Exact Mass146.07
IUPAC Namemethyl 3-fluorocyclopentane-1-carboxylate
SMILESCOC(=O)C1CCC(F)C1
InChIInChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3
InChIKeyZYRURXXPYRQMTJ-UHFFFAOYSA-N
XLogP1.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.16
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorocyclopentane-1-carboxylate?
The IUPAC name of methyl 3-fluorocyclopentane-1-carboxylate (CID 119054924) is methyl 3-fluorocyclopentane-1-carboxylate.
What is the SMILES notation for methyl 3-fluorocyclopentane-1-carboxylate?
The canonical SMILES for methyl 3-fluorocyclopentane-1-carboxylate is COC(=O)C1CCC(F)C1.
What is the InChIKey of methyl 3-fluorocyclopentane-1-carboxylate?
The InChIKey is ZYRURXXPYRQMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2/c1-10-7(9)5-2-3-6(8)4-5/h5-6H,2-4H2,1H3.
What are the key properties of methyl 3-fluorocyclopentane-1-carboxylate?
methyl 3-fluorocyclopentane-1-carboxylate has a molecular weight of 146.16 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorocyclopentane-1-carboxylate is sourced from PubChem (CID 119054924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).