methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate

C14H17FO2 — CID 124640320

IUPACmethyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H17FO2/c1-17-14(16)13(10-4-2-3-5-10)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3/t13-/m1/s1
InChIKeyFITFGVZIPHLAPG-CYBMUJFWSA-N
MW236.29 g/mol
LogP3.27
Rot. Bonds3

About methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate

methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate (PubChem CID 124640320) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
PubChem CID124640320
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namemethyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(F)cc1)C1CCCC1
InChIInChI=1S/C14H17FO2/c1-17-14(16)13(10-4-2-3-5-10)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3/t13-/m1/s1
InChIKeyFITFGVZIPHLAPG-CYBMUJFWSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
CID 125106455
methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
2-cyclopropyl-2-(4-fluorophenyl)-N-propan-2-ylacetamide
CID 110355345
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl 3-(cyclopropylamino)-2-(4-fluorophenyl)propanoate
CID 117245047
methyl 2-[3-(bromomethyl)phenyl]-2-cyclopentylacetate
CID 21255098
4-amino-N-[cyclopentyl-(4-fluorophenyl)methyl]-3-methoxybutanamide
CID 120589394
2-cyclopropyl-2-(4-fluorophenyl)-N-(4-methoxybutyl)acetamide
CID 110610202
methyl 2-(cyclopropanecarbonylamino)-2-(4-fluorophenyl)acetate
CID 130277314
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate?
The IUPAC name of methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate (CID 124640320) is methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate.
What is the SMILES notation for methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate?
The canonical SMILES for methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate is COC(=O)[C@@H](c1ccc(F)cc1)C1CCCC1.
What is the InChIKey of methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate?
The InChIKey is FITFGVZIPHLAPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17FO2/c1-17-14(16)13(10-4-2-3-5-10)11-6-8-12(15)9-7-11/h6-10,13H,2-5H2,1H3/t13-/m1/s1.
What are the key properties of methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate?
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate has a molecular weight of 236.29 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate is sourced from PubChem (CID 124640320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).