ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate

C11H15F3O3 — CID 101370700

IUPACethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate
SMILESCCOC(=O)[C@](O)(CC1=CCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O3/c1-2-17-9(15)10(16,11(12,13)14)7-8-5-3-4-6-8/h5,16H,2-4,6-7H2,1H3/t10-/m1/s1
InChIKeyMXOBHKBHJAEDJP-SNVBAGLBSA-N
MW252.23 g/mol
LogP2.34
Rot. Bonds4

About ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate

ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate (PubChem CID 101370700) has the molecular formula C11H15F3O3 and a molecular weight of 252.23 g/mol. Its IUPAC name is ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate
PubChem CID101370700
Molecular FormulaC11H15F3O3
Molecular Weight252.23 g/mol
Exact Mass252.10
IUPAC Nameethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate
SMILESCCOC(=O)[C@](O)(CC1=CCCC1)C(F)(F)F
InChIInChI=1S/C11H15F3O3/c1-2-17-9(15)10(16,11(12,13)14)7-8-5-3-4-6-8/h5,16H,2-4,6-7H2,1H3/t10-/m1/s1
InChIKeyMXOBHKBHJAEDJP-SNVBAGLBSA-N
XLogP2.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(cyclopenten-1-yl)-3-oxobutanoate
CID 154212044
ethyl 2-hydroxy-5-methyl-4-methylidene-2-(trifluoromethyl)hexanoate
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ethyl 2-(cycloocten-1-yl)acetate
CID 67663931
ethyl (2S)-2-(cyclopenten-1-ylmethoxy)propanoate
CID 140798004
ethyl 2-hydroxy-4-methoxy-2-(trifluoromethyl)pent-4-enoate
CID 162536869
ethyl 3-(cyclohepten-1-yl)propanoate
CID 135031394
ethyl 3,3,3-trifluoro-2,2-dihydroxypropanoate
CID 154013298
ethyl (2S)-2-hydroxy-6,6-dimethyl-4-methylidene-2-(trifluoromethyl)heptanoate
CID 134964588
ethyl (2R)-4-(4-ethylphenyl)-2-hydroxy-2-(trifluoromethyl)pent-4-enoate
CID 102589699
ethyl 3-(cyclopenten-1-yl)-2-(dibenzylamino)propanoate
CID 101463161
ethyl 2-(2-ethoxy-1,1-difluoro-2-oxoethoxy)-2,2-difluoroacetate
CID 13141611
cyclopenten-1-ylmethylcarbamic acid;N,N-diethylethanamine
CID 170316861

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The IUPAC name of ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate (CID 101370700) is ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate.
What is the SMILES notation for ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The canonical SMILES for ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate is CCOC(=O)[C@](O)(CC1=CCCC1)C(F)(F)F.
What is the InChIKey of ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate?
The InChIKey is MXOBHKBHJAEDJP-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H15F3O3/c1-2-17-9(15)10(16,11(12,13)14)7-8-5-3-4-6-8/h5,16H,2-4,6-7H2,1H3/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate?
ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate has a molecular weight of 252.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(cyclopenten-1-ylmethyl)-3,3,3-trifluoro-2-hydroxypropanoate is sourced from PubChem (CID 101370700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).