[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate

C14H17FO3 — CID 95622535

IUPAC[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate
SMILESCO[C@@H]1CCC[C@@H]1OC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FO3/c1-17-12-3-2-4-13(12)18-14(16)9-10-5-7-11(15)8-6-10/h5-8,12-13H,2-4,9H2,1H3/t12-,13+/m1/s1
InChIKeyDFQGQQXLWOFOMH-OLZOCXBDSA-N
MW252.28 g/mol
LogP2.48
Rot. Bonds4

About [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate

[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate (PubChem CID 95622535) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Name[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate
PubChem CID95622535
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate
SMILESCO[C@@H]1CCC[C@@H]1OC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C14H17FO3/c1-17-12-3-2-4-13(12)18-14(16)9-10-5-7-11(15)8-6-10/h5-8,12-13H,2-4,9H2,1H3/t12-,13+/m1/s1
InChIKeyDFQGQQXLWOFOMH-OLZOCXBDSA-N
XLogP2.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate?
The IUPAC name of [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate (CID 95622535) is [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate.
What is the SMILES notation for [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate?
The canonical SMILES for [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate is CO[C@@H]1CCC[C@@H]1OC(=O)Cc1ccc(F)cc1.
What is the InChIKey of [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate?
The InChIKey is DFQGQQXLWOFOMH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17FO3/c1-17-12-3-2-4-13(12)18-14(16)9-10-5-7-11(15)8-6-10/h5-8,12-13H,2-4,9H2,1H3/t12-,13+/m1/s1.
What are the key properties of [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate?
[(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate has a molecular weight of 252.28 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R)-2-methoxycyclopentyl] 2-(4-fluorophenyl)acetate is sourced from PubChem (CID 95622535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).