[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate

C13H15F3O3 — CID 141400887

IUPAC[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate
SMILESCCC(=O)OC[C@](OC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3O3/c1-3-11(17)19-9-12(18-2,13(14,15)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t12-/m0/s1
InChIKeyLRDMFUUCOIMTTO-LBPRGKRZSA-N
MW276.25 g/mol
LogP3.04
Rot. Bonds5

About [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate

[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate (PubChem CID 141400887) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate.

Molecular Properties

Compound Name[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate
PubChem CID141400887
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate
SMILESCCC(=O)OC[C@](OC)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C13H15F3O3/c1-3-11(17)19-9-12(18-2,13(14,15)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t12-/m0/s1
InChIKeyLRDMFUUCOIMTTO-LBPRGKRZSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylpropan-2-yl 2-aminoacetate;2-phenylpropan-2-yl propanoate
CID 160872779
ethyl (2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 156904560
(2S)-3,3,3-trifluoro-2-methoxy-2-phenylpropanamide
CID 67717201
(1,2,3-trihydroxy-1,1-diphenylpropan-2-yl) propanoate
CID 139965349
methyl (3S)-3-amino-4,4,4-trifluoro-3-phenylbutanoate
CID 125468078
4,4,4-trifluoro-3-(4-hydroxyphenyl)-3-methoxybutanoic acid
CID 84738454
2-(aminomethyl)-3-methoxy-2-(3-methylphenyl)propanoic acid
CID 106490721
potassium (2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
CID 102071595
ethyl 2-hydroxy-2-methoxy-2-phenylacetate
CID 163409597
2-(1,1-diphenylpropoxy)ethyl propanoate
CID 174801671
3,3,3-trifluoro-2-methoxy-2-phenylpropanoate;triphenylsulfanium
CID 87756674
ethyl 2-(aminomethyl)-2-phenyl-3-(2,2,2-trifluoroethoxy)propanoate
CID 106706864

Frequently Asked Questions

What is the IUPAC name of [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate?
The IUPAC name of [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate (CID 141400887) is [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate.
What is the SMILES notation for [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate?
The canonical SMILES for [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate is CCC(=O)OC[C@](OC)(c1ccccc1)C(F)(F)F.
What is the InChIKey of [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate?
The InChIKey is LRDMFUUCOIMTTO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H15F3O3/c1-3-11(17)19-9-12(18-2,13(14,15)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3/t12-/m0/s1.
What are the key properties of [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate?
[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate has a molecular weight of 276.25 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropyl] propanoate is sourced from PubChem (CID 141400887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).