(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol

C10H14FNO2 — CID 130657386

IUPAC(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cccc(F)c1CO
InChIInChI=1S/C10H14FNO2/c1-6(14)10(12)7-3-2-4-9(11)8(7)5-13/h2-4,6,10,13-14H,5,12H2,1H3/t6-,10-/m0/s1
InChIKeyYNZRIKWMORPSJH-WKEGUHRASA-N
MW199.22 g/mol
LogP0.70
Rot. Bonds3

About (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol

(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol (PubChem CID 130657386) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
PubChem CID130657386
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol
SMILESC[C@H](O)[C@H](N)c1cccc(F)c1CO
InChIInChI=1S/C10H14FNO2/c1-6(14)10(12)7-3-2-4-9(11)8(7)5-13/h2-4,6,10,13-14H,5,12H2,1H3/t6-,10-/m0/s1
InChIKeyYNZRIKWMORPSJH-WKEGUHRASA-N
XLogP0.70
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol (CID 130657386) is (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol is C[C@H](O)[C@H](N)c1cccc(F)c1CO.
What is the InChIKey of (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol?
The InChIKey is YNZRIKWMORPSJH-WKEGUHRASA-N. The full InChI is InChI=1S/C10H14FNO2/c1-6(14)10(12)7-3-2-4-9(11)8(7)5-13/h2-4,6,10,13-14H,5,12H2,1H3/t6-,10-/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol?
(1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-[3-fluoro-2-(hydroxymethyl)phenyl]propan-2-ol is sourced from PubChem (CID 130657386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).