[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate

C11H14FNO2 — CID 174846424

IUPAC[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCc1ccc(CF)cc1
InChIInChI=1S/C11H14FNO2/c1-8(13)11(14)15-7-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,13H2,1H3/t8-/m0/s1
InChIKeyATOKYSXIAIWBCU-QMMMGPOBSA-N
MW211.24 g/mol
LogP1.55
Rot. Bonds4

About [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate

[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate (PubChem CID 174846424) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate
PubChem CID174846424
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate
SMILESC[C@H](N)C(=O)OCc1ccc(CF)cc1
InChIInChI=1S/C11H14FNO2/c1-8(13)11(14)15-7-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,13H2,1H3/t8-/m0/s1
InChIKeyATOKYSXIAIWBCU-QMMMGPOBSA-N
XLogP1.55
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)methyl (2R)-2-aminopropanoate
CID 94254370
(4-chlorophenyl)methyl (2S)-2-aminopropanoate
CID 54528186
(4-bromophenyl)methyl 2-aminopropanoate
CID 79016894
benzyl (2S)-2-aminopropanoate
CID 726858
[4-[(4-methylphenyl)methoxy]phenyl]methyl (2R)-2-aminopropanoate
CID 176827947
(4-nitrophenyl)methyl (2R)-2-aminopropanoate;hydrobromide
CID 56845406
(4-nitrophenyl)methyl (2S)-2-aminopropanoate;hydrobromide
CID 15924095
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
[4-(aminomethyl)phenyl]methyl 2-methylpropanoate
CID 166101467
(4-fluorophenyl)methyl 2-amino-4-methylpentanoate
CID 112510164
(4-propan-2-ylphenyl)methyl 2-methylpropanoate
CID 58781802
(4-methylphenyl)methyl (2S)-2,3-dimethylbutanoate
CID 59174150

Frequently Asked Questions

What is the IUPAC name of [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate?
The IUPAC name of [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate (CID 174846424) is [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate.
What is the SMILES notation for [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate?
The canonical SMILES for [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate is C[C@H](N)C(=O)OCc1ccc(CF)cc1.
What is the InChIKey of [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate?
The InChIKey is ATOKYSXIAIWBCU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(13)11(14)15-7-10-4-2-9(6-12)3-5-10/h2-5,8H,6-7,13H2,1H3/t8-/m0/s1.
What are the key properties of [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate?
[4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate has a molecular weight of 211.24 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)phenyl]methyl (2S)-2-aminopropanoate is sourced from PubChem (CID 174846424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).