(2R)-2-amino-3,3-difluoro-3-phenylpropanal

C9H9F2NO — CID 91389938

IUPAC(2R)-2-amino-3,3-difluoro-3-phenylpropanal
SMILESN[C@H](C=O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H9F2NO/c10-9(11,8(12)6-13)7-4-2-1-3-5-7/h1-6,8H,12H2/t8-/m1/s1
InChIKeyNWYBKUGLLMBKIW-MRVPVSSYSA-N
MW185.17 g/mol
LogP1.30
Rot. Bonds3

About (2R)-2-amino-3,3-difluoro-3-phenylpropanal

(2R)-2-amino-3,3-difluoro-3-phenylpropanal (PubChem CID 91389938) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is (2R)-2-amino-3,3-difluoro-3-phenylpropanal.

Molecular Properties

Compound Name(2R)-2-amino-3,3-difluoro-3-phenylpropanal
PubChem CID91389938
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name(2R)-2-amino-3,3-difluoro-3-phenylpropanal
SMILESN[C@H](C=O)C(F)(F)c1ccccc1
InChIInChI=1S/C9H9F2NO/c10-9(11,8(12)6-13)7-4-2-1-3-5-7/h1-6,8H,12H2/t8-/m1/s1
InChIKeyNWYBKUGLLMBKIW-MRVPVSSYSA-N
XLogP1.30
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3,3-difluoro-3-phenylpropanal?
The IUPAC name of (2R)-2-amino-3,3-difluoro-3-phenylpropanal (CID 91389938) is (2R)-2-amino-3,3-difluoro-3-phenylpropanal.
What is the SMILES notation for (2R)-2-amino-3,3-difluoro-3-phenylpropanal?
The canonical SMILES for (2R)-2-amino-3,3-difluoro-3-phenylpropanal is N[C@H](C=O)C(F)(F)c1ccccc1.
What is the InChIKey of (2R)-2-amino-3,3-difluoro-3-phenylpropanal?
The InChIKey is NWYBKUGLLMBKIW-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11,8(12)6-13)7-4-2-1-3-5-7/h1-6,8H,12H2/t8-/m1/s1.
What are the key properties of (2R)-2-amino-3,3-difluoro-3-phenylpropanal?
(2R)-2-amino-3,3-difluoro-3-phenylpropanal has a molecular weight of 185.17 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3,3-difluoro-3-phenylpropanal is sourced from PubChem (CID 91389938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).