methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate

C11H13FO2 — CID 40999693

IUPACmethyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyFLZRROMMZCZASP-MRVPVSSYSA-N
MW196.22 g/mol
LogP2.18
Rot. Bonds3

About methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate

methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate (PubChem CID 40999693) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
PubChem CID40999693
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Namemethyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
SMILESCOC(=O)[C@H](C)Cc1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1
InChIKeyFLZRROMMZCZASP-MRVPVSSYSA-N
XLogP2.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-3-(4-aminophenyl)-2-methylpropanoate
CID 97184757
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2S)-3-(4-chlorophenyl)-2-methylpropanoate
CID 40999700
methyl 2-methyl-3-phenylpropanoate
CID 11105919
tert-butyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate
CID 174495539
methyl (2S)-2-chloro-3-(4-fluorophenyl)propanoate
CID 54763159
methyl (2S)-3-(4-fluorophenyl)-2-isocyanopropanoate
CID 97291386
methyl 2-[(4-fluorophenyl)methyl]-3-oxopropanoate
CID 175668864
methyl 2-[1-(4-fluorophenyl)propan-2-ylamino]-3-methylbutanoate
CID 114828492
methyl (2S,4S)-5-[1-(4-fluorophenyl)propan-2-ylamino]-2-methyl-4-(methylamino)-5-oxopentanoate
CID 126627391
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
methyl (2S)-2-[(2-chloroacetyl)amino]-3-(4-fluorophenyl)propanoate
CID 166407659

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate (CID 40999693) is methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate is COC(=O)[C@H](C)Cc1ccc(F)cc1.
What is the InChIKey of methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
The InChIKey is FLZRROMMZCZASP-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate?
methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate has a molecular weight of 196.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(4-fluorophenyl)-2-methylpropanoate is sourced from PubChem (CID 40999693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).