methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate

C11H11F3O3 — CID 102059602

IUPACmethyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
SMILESCOC(=O)[C@@H](OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-16-10(15)9(11(12,13)14)17-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKeyYASINZQQUKRMSN-SECBINFHSA-N
MW248.20 g/mol
LogP2.31
Rot. Bonds4

About methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate

methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate (PubChem CID 102059602) has the molecular formula C11H11F3O3 and a molecular weight of 248.20 g/mol. Its IUPAC name is methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate.

Molecular Properties

Compound Namemethyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
PubChem CID102059602
Molecular FormulaC11H11F3O3
Molecular Weight248.20 g/mol
Exact Mass248.07
IUPAC Namemethyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate
SMILESCOC(=O)[C@@H](OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C11H11F3O3/c1-16-10(15)9(11(12,13)14)17-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1
InChIKeyYASINZQQUKRMSN-SECBINFHSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 3,3,3-trifluoro-2-phenylmethoxypropanoate
CID 170096210
methyl (2S)-3-hydroxy-2-phenylmethoxypropanoate
CID 12965597
methyl 3,3,3-trifluoro-2-phenoxypropanoate
CID 121000183
methyl 3,3,3-trifluoro-2-(phenylmethoxycarbonylamino)propanoate
CID 11077150
methyl (2R,3R)-4,4,4-trifluoro-3-[[(1S)-1-phenylethyl]amino]-2-phenylmethoxybutanoate
CID 10809857
methyl 3-methyl-2-phenylmethoxybutanoate
CID 13289114
methyl (2S)-3-methyl-2-phenylmethoxybutanoate
CID 11096185
methyl (2S)-2-acetyloxy-2-phenylmethoxyacetate
CID 101037708
methyl (2R,3S,4R)-4-hydroxy-3-methyl-2-phenylmethoxypentanoate
CID 11791672
methyl 2-naphthalen-1-yl-2-phenylmethoxyacetate
CID 20726922
[[(2S)-3-hydroxy-2-phenylmethoxypropanoyl]-[(2R)-1-methoxy-1-oxopropan-2-yl]amino]carbamic acid
CID 150509300
3-O-benzyl 1-O-methyl 2-aminopropanedioate;hydrochloride
CID 14861668

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate?
The IUPAC name of methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate (CID 102059602) is methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate.
What is the SMILES notation for methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate?
The canonical SMILES for methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate is COC(=O)[C@@H](OCc1ccccc1)C(F)(F)F.
What is the InChIKey of methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate?
The InChIKey is YASINZQQUKRMSN-SECBINFHSA-N. The full InChI is InChI=1S/C11H11F3O3/c1-16-10(15)9(11(12,13)14)17-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3/t9-/m1/s1.
What are the key properties of methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate?
methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate has a molecular weight of 248.20 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3,3,3-trifluoro-2-phenylmethoxypropanoate is sourced from PubChem (CID 102059602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).