benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate

C18H19F2NO2 — CID 156775051

IUPACbenzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate
SMILESN[C@](CCc1ccccc1)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C18H19F2NO2/c19-16(20)18(21,12-11-14-7-3-1-4-8-14)17(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13,21H2/t18-/m0/s1
InChIKeyZLPTZNVOLDIFBC-SFHVURJKSA-N
MW319.35 g/mol
LogP3.33
Rot. Bonds7

About benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate

benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate (PubChem CID 156775051) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate
PubChem CID156775051
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC Namebenzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate
SMILESN[C@](CCc1ccccc1)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C18H19F2NO2/c19-16(20)18(21,12-11-14-7-3-1-4-8-14)17(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13,21H2/t18-/m0/s1
InChIKeyZLPTZNVOLDIFBC-SFHVURJKSA-N
XLogP3.33
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate?
The IUPAC name of benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate (CID 156775051) is benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate.
What is the SMILES notation for benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate?
The canonical SMILES for benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate is N[C@](CCc1ccccc1)(C(=O)OCc1ccccc1)C(F)F.
What is the InChIKey of benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate?
The InChIKey is ZLPTZNVOLDIFBC-SFHVURJKSA-N. The full InChI is InChI=1S/C18H19F2NO2/c19-16(20)18(21,12-11-14-7-3-1-4-8-14)17(22)23-13-15-9-5-2-6-10-15/h1-10,16H,11-13,21H2/t18-/m0/s1.
What are the key properties of benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate?
benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate has a molecular weight of 319.35 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate is sourced from PubChem (CID 156775051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).