tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate

C14H19FO2 — CID 174495539

IUPACtert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
SMILESC[C@H](Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19FO2/c1-10(13(16)17-14(2,3)4)9-11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyNMEUPNAYHSQZFJ-SNVBAGLBSA-N
MW238.30 g/mol
LogP3.35
Rot. Bonds3

About tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate

tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate (PubChem CID 174495539) has the molecular formula C14H19FO2 and a molecular weight of 238.30 g/mol. Its IUPAC name is tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
PubChem CID174495539
Molecular FormulaC14H19FO2
Molecular Weight238.30 g/mol
Exact Mass238.14
IUPAC Nametert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
SMILESC[C@H](Cc1ccc(F)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19FO2/c1-10(13(16)17-14(2,3)4)9-11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m1/s1
InChIKeyNMEUPNAYHSQZFJ-SNVBAGLBSA-N
XLogP3.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 40999693
tert-butyl 3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 67279196
tert-butyl 2-methyl-3-phenylpropanoate;propane
CID 145135005
(2R)-2-amino-3-[(4-fluorophenyl)methyl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutanoic acid
CID 118878667
propan-2-yl (2R)-3-(4-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 24879994
tert-butyl (2S)-2-amino-2-(4-fluorophenyl)acetate
CID 151116250
tert-butyl (2S)-3-(4-fluorophenyl)-2-[methoxymethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoate
CID 139916700
tert-butyl 3-(4-fluorophenyl)-2-methyl-3-oxopropanoate
CID 66337972
methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
CID 90333017
tert-butyl 2-[1-(4-fluorophenyl)ethylamino]propanoate
CID 64689516
tert-butyl (2S)-3-(2-fluoro-5-methylphenyl)-2-methylpropanoate
CID 166490305
(2R)-N-ethyl-3-(4-fluorophenyl)-2-methylpropanamide
CID 143947459

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
The IUPAC name of tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate (CID 174495539) is tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate is C[C@H](Cc1ccc(F)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
The InChIKey is NMEUPNAYHSQZFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19FO2/c1-10(13(16)17-14(2,3)4)9-11-5-7-12(15)8-6-11/h5-8,10H,9H2,1-4H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate has a molecular weight of 238.30 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 174495539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).