methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate

C15H19FO2 — CID 129395594

IUPACmethyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
SMILESCOC(=O)[C@@](C)(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C15H19FO2/c1-15(14(17)18-2,11-6-3-4-7-11)12-8-5-9-13(16)10-12/h5,8-11H,3-4,6-7H2,1-2H3/t15-/m1/s1
InChIKeyJGIPHTROZLAQPU-OAHLLOKOSA-N
MW250.31 g/mol
LogP3.45
Rot. Bonds3

About methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate

methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate (PubChem CID 129395594) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
PubChem CID129395594
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Namemethyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate
SMILESCOC(=O)[C@@](C)(c1cccc(F)c1)C1CCCC1
InChIInChI=1S/C15H19FO2/c1-15(14(17)18-2,11-6-3-4-7-11)12-8-5-9-13(16)10-12/h5,8-11H,3-4,6-7H2,1-2H3/t15-/m1/s1
InChIKeyJGIPHTROZLAQPU-OAHLLOKOSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-2-(3-fluorophenyl)propanoic acid
CID 83834060
methyl 2-amino-2-cyclopropyl-2-(3-fluorophenyl)acetate
CID 66593115
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
methyl 3-amino-2-cyclopropyl-2-(3-fluorophenyl)propanoate
CID 106509500
methyl 2-(3-fluorophenyl)-2-hydrazinylpropanoate
CID 146310495
methyl 2-amino-3-(3-fluorophenyl)-2,3-dimethylbutanoate
CID 115043081
methyl 2-amino-3-fluoro-2-(3-fluorophenyl)butanoate
CID 105486320
methyl 2-(ethylamino)-2-(3-fluorophenyl)propanoate
CID 60788040
N-[2-(3-fluorophenyl)propan-2-yl]cyclopentanamine
CID 115901868
methyl 2-(cyclopropylamino)-3-(3-fluorophenyl)-2-methylpropanoate
CID 114832026
2-cyclobutyloxy-2-(3-fluorophenyl)propanoic acid
CID 114996604
ethyl 2-(cyclopentylamino)-2-(3-fluorophenyl)butanoate
CID 114871991

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate?
The IUPAC name of methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate (CID 129395594) is methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate.
What is the SMILES notation for methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate?
The canonical SMILES for methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate is COC(=O)[C@@](C)(c1cccc(F)c1)C1CCCC1.
What is the InChIKey of methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate?
The InChIKey is JGIPHTROZLAQPU-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H19FO2/c1-15(14(17)18-2,11-6-3-4-7-11)12-8-5-9-13(16)10-12/h5,8-11H,3-4,6-7H2,1-2H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate?
methyl (2R)-2-cyclopentyl-2-(3-fluorophenyl)propanoate has a molecular weight of 250.31 g/mol, XLogP of 3.45, 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-(3-fluorophenyl)propanoate is sourced from PubChem (CID 129395594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).