benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate

C17H17F2NO2 — CID 156775038

IUPACbenzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate
SMILESN[C@](Cc1ccccc1)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C17H17F2NO2/c18-15(19)17(20,11-13-7-3-1-4-8-13)16(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12,20H2/t17-/m0/s1
InChIKeyIKFDSHCGUOFDNH-KRWDZBQOSA-N
MW305.32 g/mol
LogP2.94
Rot. Bonds6

About benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate

benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate (PubChem CID 156775038) has the molecular formula C17H17F2NO2 and a molecular weight of 305.32 g/mol. Its IUPAC name is benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate.

Molecular Properties

Compound Namebenzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate
PubChem CID156775038
Molecular FormulaC17H17F2NO2
Molecular Weight305.32 g/mol
Exact Mass305.12
IUPAC Namebenzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate
SMILESN[C@](Cc1ccccc1)(C(=O)OCc1ccccc1)C(F)F
InChIInChI=1S/C17H17F2NO2/c18-15(19)17(20,11-13-7-3-1-4-8-13)16(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12,20H2/t17-/m0/s1
InChIKeyIKFDSHCGUOFDNH-KRWDZBQOSA-N
XLogP2.94
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.32
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

L-Phenylalanine, phenylmethyl ester, hydrochloride (1:1)
CID 12636208
phenylalanine O-benzyl ester
CID 102533
Benzyl 3-phenyl-L-alaninate hydrochloride
CID 11140855
3,3,3-Trifluoro-2-phenyl-2-phenylmethoxypropanamide
CID 21024131
Benzyl 3-phenyl-L-alaninate
CID 736312
benzyl (2R)-2-amino-3,3-difluoro-2-methylpropanoate
CID 156775037
dibenzyl (2R)-2-amino-2-(difluoromethyl)butanedioate
CID 156775041
dibenzyl (2R)-2-amino-2-(difluoromethyl)pentanedioate
CID 156775044
benzyl (2R)-2-amino-2-(difluoromethyl)pent-4-enoate
CID 156775045
benzyl (2R)-2-amino-2-(difluoromethyl)-4-methylpentanoate
CID 156775046
benzyl (2R)-2-amino-2-(difluoromethyl)-4-phenylbutanoate
CID 156775051
Methyl 2-amino-2-benzyl-3-phenylpropanoate
CID 10825855

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate?
The IUPAC name of benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate (CID 156775038) is benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate.
What is the SMILES notation for benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate?
The canonical SMILES for benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate is N[C@](Cc1ccccc1)(C(=O)OCc1ccccc1)C(F)F.
What is the InChIKey of benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate?
The InChIKey is IKFDSHCGUOFDNH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17F2NO2/c18-15(19)17(20,11-13-7-3-1-4-8-13)16(21)22-12-14-9-5-2-6-10-14/h1-10,15H,11-12,20H2/t17-/m0/s1.
What are the key properties of benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate?
benzyl (2R)-2-amino-2-benzyl-3,3-difluoropropanoate has a molecular weight of 305.32 g/mol, XLogP of 2.94, 6 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-benzyl-3,3-difluoropropanoate is sourced from PubChem (CID 156775038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).