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

C10H11F3N2O — CID 135070263

IUPAC(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
SMILESNC(=O)[C@](N)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(15,8(14)16)6-7-4-2-1-3-5-7/h1-5H,6,15H2,(H2,14,16)/t9-/m1/s1
InChIKeyFOYXKHCJLYRFIK-SECBINFHSA-N
MW232.21 g/mol
LogP0.97
Rot. Bonds3

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

(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide (PubChem CID 135070263) has the molecular formula C10H11F3N2O and a molecular weight of 232.21 g/mol. Its IUPAC name is (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide.

Molecular Properties

Compound Name(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
PubChem CID135070263
Molecular FormulaC10H11F3N2O
Molecular Weight232.21 g/mol
Exact Mass232.08
IUPAC Name(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
SMILESNC(=O)[C@](N)(Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)9(15,8(14)16)6-7-4-2-1-3-5-7/h1-5H,6,15H2,(H2,14,16)/t9-/m1/s1
InChIKeyFOYXKHCJLYRFIK-SECBINFHSA-N
XLogP0.97
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.21
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 10922854
ethyl (2S)-2-amino-2-benzyl-3,3,3-trifluoropropanoate
CID 56840522
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2,3-diamino-2-benzyl-3-oxopropanoic acid
CID 62705603
(2S)-2-benzyl-2,3-dihydroxypropanamide
CID 67629888
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
2,2-dichloro-3-phenylpropanamide
CID 21425793
2,2-difluoro-3-phenylpropanoic acid
CID 69365338
(2R)-2-amino-2-chloro-3-phenylpropanoic acid
CID 21116120
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409
methyl (2S)-2,3-diamino-2-benzyl-3-oxopropanoate
CID 134588871

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide?
The IUPAC name of (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide (CID 135070263) is (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide.
What is the SMILES notation for (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide?
The canonical SMILES for (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide is NC(=O)[C@](N)(Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide?
The InChIKey is FOYXKHCJLYRFIK-SECBINFHSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)9(15,8(14)16)6-7-4-2-1-3-5-7/h1-5H,6,15H2,(H2,14,16)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide?
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide has a molecular weight of 232.21 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide is sourced from PubChem (CID 135070263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).