4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol

C9H12FNO2 — CID 96747483

IUPAC4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol
SMILESC[C@H](N)[C@@H](O)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c1-5(11)9(13)7-3-2-6(12)4-8(7)10/h2-5,9,12-13H,11H2,1H3/t5-,9+/m0/s1
InChIKeyNDGDUXJOTLXSEU-SSDLBLMSSA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds2

About 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol

4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol (PubChem CID 96747483) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol
PubChem CID96747483
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol
SMILESC[C@H](N)[C@@H](O)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c1-5(11)9(13)7-3-2-6(12)4-8(7)10/h2-5,9,12-13H,11H2,1H3/t5-,9+/m0/s1
InChIKeyNDGDUXJOTLXSEU-SSDLBLMSSA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol?
The IUPAC name of 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol (CID 96747483) is 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol?
The canonical SMILES for 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol is C[C@H](N)[C@@H](O)c1ccc(O)cc1F.
What is the InChIKey of 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol?
The InChIKey is NDGDUXJOTLXSEU-SSDLBLMSSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-5(11)9(13)7-3-2-6(12)4-8(7)10/h2-5,9,12-13H,11H2,1H3/t5-,9+/m0/s1.
What are the key properties of 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol?
4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol has a molecular weight of 185.20 g/mol, XLogP of 0.91, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-2-amino-1-hydroxypropyl]-3-fluorophenol is sourced from PubChem (CID 96747483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).