ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate

C19H11F3O3 — CID 134943720

IUPACethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate
SMILESCCOC(=O)[C@](O)(C#CC#CC#CC#Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H11F3O3/c1-2-25-17(23)18(24,19(20,21)22)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,24H,2H2,1H3/t18-/m1/s1
InChIKeyNPMWVYRYUXWJKP-GOSISDBHSA-N
MW344.29 g/mol
LogP1.90
Rot. Bonds2

About ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate

ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate (PubChem CID 134943720) has the molecular formula C19H11F3O3 and a molecular weight of 344.29 g/mol. Its IUPAC name is ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate.

Molecular Properties

Compound Nameethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate
PubChem CID134943720
Molecular FormulaC19H11F3O3
Molecular Weight344.29 g/mol
Exact Mass344.07
IUPAC Nameethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate
SMILESCCOC(=O)[C@](O)(C#CC#CC#CC#Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C19H11F3O3/c1-2-25-17(23)18(24,19(20,21)22)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,24H,2H2,1H3/t18-/m1/s1
InChIKeyNPMWVYRYUXWJKP-GOSISDBHSA-N
XLogP1.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 10343405
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ethyl 4-(4-phenylbuta-1,3-diynyl)benzoate
CID 25052516
ethyl (Z)-2-fluoro-5-phenyl-3-(trifluoromethyl)pent-2-en-4-ynoate
CID 15321242
ethyl 6-(4-bromophenyl)-2-(2-methoxyanilino)-2-(trifluoromethyl)hexa-3,5-diynoate
CID 102294051
ethyl 2-hydroxy-4-phenyl-2-thiophen-2-ylbut-3-ynoate
CID 72974666
ethyl 3,3,3-trifluoro-2-methyl-2-phenylpropanoate;2,2,2-trifluoroacetic acid
CID 174398683
ethyl (E)-6-hydroxy-2-methyl-2-(2-phenylethynyl)hex-4-enoate
CID 11471271
2-ethoxycarbonyl-2-ethyl-5-phenylpent-4-ynoic acid
CID 103974517
ethyl 2-benzoyl-2,3,3,3-tetrafluoropropanoate
CID 15698185
ethyl 2-acetyl-2-methyl-3-methylidene-5-phenylpent-4-ynoate
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ethyl 2-cyano-2-methyl-5-phenylpent-4-ynoate
CID 114290148

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate?
The IUPAC name of ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate (CID 134943720) is ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate.
What is the SMILES notation for ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate?
The canonical SMILES for ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate is CCOC(=O)[C@](O)(C#CC#CC#CC#Cc1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate?
The InChIKey is NPMWVYRYUXWJKP-GOSISDBHSA-N. The full InChI is InChI=1S/C19H11F3O3/c1-2-25-17(23)18(24,19(20,21)22)15-11-6-4-3-5-8-12-16-13-9-7-10-14-16/h7,9-10,13-14,24H,2H2,1H3/t18-/m1/s1.
What are the key properties of ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate?
ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate has a molecular weight of 344.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-hydroxy-10-phenyl-2-(trifluoromethyl)deca-3,5,7,9-tetraynoate is sourced from PubChem (CID 134943720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).