(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol

C9H10F3NO — CID 97300372

IUPAC(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol
SMILESN[C@](CO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(13,6-14)7-4-2-1-3-5-7/h1-5,14H,6,13H2/t8-/m1/s1
InChIKeyPUVRUBCEOZTRDR-MRVPVSSYSA-N
MW205.18 g/mol
LogP1.40
Rot. Bonds2

About (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol

(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol (PubChem CID 97300372) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol.

Molecular Properties

Compound Name(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol
PubChem CID97300372
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol
SMILESN[C@](CO)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C9H10F3NO/c10-9(11,12)8(13,6-14)7-4-2-1-3-5-7/h1-5,14H,6,13H2/t8-/m1/s1
InChIKeyPUVRUBCEOZTRDR-MRVPVSSYSA-N
XLogP1.40
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol?
The IUPAC name of (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol (CID 97300372) is (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol.
What is the SMILES notation for (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol?
The canonical SMILES for (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol is N[C@](CO)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol?
The InChIKey is PUVRUBCEOZTRDR-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H10F3NO/c10-9(11,12)8(13,6-14)7-4-2-1-3-5-7/h1-5,14H,6,13H2/t8-/m1/s1.
What are the key properties of (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol?
(2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol has a molecular weight of 205.18 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3,3,3-trifluoro-2-phenylpropan-1-ol is sourced from PubChem (CID 97300372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).