methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate

C9H13FO3 — CID 105443001

IUPACmethyl 3-cyclopentyl-2-fluoro-3-oxopropanoate
SMILESCOC(=O)C(F)C(=O)C1CCCC1
InChIInChI=1S/C9H13FO3/c1-13-9(12)7(10)8(11)6-4-2-3-5-6/h6-7H,2-5H2,1H3
InChIKeyLEKKZJVKHNFTFV-UHFFFAOYSA-N
MW188.20 g/mol
LogP1.26
Rot. Bonds3

About methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate

methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate (PubChem CID 105443001) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate.

Molecular Properties

Compound Namemethyl 3-cyclopentyl-2-fluoro-3-oxopropanoate
PubChem CID105443001
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Namemethyl 3-cyclopentyl-2-fluoro-3-oxopropanoate
SMILESCOC(=O)C(F)C(=O)C1CCCC1
InChIInChI=1S/C9H13FO3/c1-13-9(12)7(10)8(11)6-4-2-3-5-6/h6-7H,2-5H2,1H3
InChIKeyLEKKZJVKHNFTFV-UHFFFAOYSA-N
XLogP1.26
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 2-fluoro-3-(1-methylpiperidin-4-yl)-3-oxopropanoate
CID 105470836
methyl 2-(cyclopentanecarbonyl)-4-oxopentanoate
CID 165483331
methyl 2-(cyclopentanecarbonyl)-5-cyclopropyl-4-oxopentanoate
CID 165483333
(2S)-2-amino-1-cyclopentyl-3-methylbutan-1-one
CID 174421994
3-amino-1-cyclopentyl-2-methylbutan-1-one
CID 116612102
methyl 2-(cyclobutanecarbonyl)-5,5,5-trifluoro-4-oxopentanoate
CID 165483335
N-methoxycyclopentanecarboxamide
CID 59130435
methyl 2-(cycloheptanecarbonylamino)propanoate
CID 55208947
methyl (2S)-2-(cyclohexanecarbonylamino)propanoate
CID 2476646
2-amino-1-cyclohexyl-3-methylpentan-1-one
CID 59078548
1-cyclopentyl-2-cyclopropyl-2-methoxyethanone
CID 116709099
methyl 2-amino-3-cycloheptyl-3,3-difluoropropanoate
CID 105496040

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate?
The IUPAC name of methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate (CID 105443001) is methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate.
What is the SMILES notation for methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate?
The canonical SMILES for methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate is COC(=O)C(F)C(=O)C1CCCC1.
What is the InChIKey of methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate?
The InChIKey is LEKKZJVKHNFTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FO3/c1-13-9(12)7(10)8(11)6-4-2-3-5-6/h6-7H,2-5H2,1H3.
What are the key properties of methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate?
methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate has a molecular weight of 188.20 g/mol, XLogP of 1.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclopentyl-2-fluoro-3-oxopropanoate is sourced from PubChem (CID 105443001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).