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

C9H12FNO2 — CID 55270720

IUPAC4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
SMILESN[C@@H](CCO)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c10-8-5-6(13)1-2-7(8)9(11)3-4-12/h1-2,5,9,12-13H,3-4,11H2/t9-/m0/s1
InChIKeyXYQASTUUHAQPHG-VIFPVBQESA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds3

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

4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol (PubChem CID 55270720) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
PubChem CID55270720
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol
SMILESN[C@@H](CCO)c1ccc(O)cc1F
InChIInChI=1S/C9H12FNO2/c10-8-5-6(13)1-2-7(8)9(11)3-4-12/h1-2,5,9,12-13H,3-4,11H2/t9-/m0/s1
InChIKeyXYQASTUUHAQPHG-VIFPVBQESA-N
XLogP0.91
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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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Related Compounds

4-(1-amino-2-hydroxyethyl)-3-fluorophenol
CID 55282976
4-[(1S)-1-aminohexyl]-3-fluorophenol;hydrochloride
CID 171218697
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
4-[(1S)-1-amino-3-hydroxypropyl]-3-(trifluoromethyl)phenol
CID 131872319
4-(1-amino-2-methoxyethyl)-3-fluorophenol
CID 55273323
4-[(1R)-1-aminobut-3-enyl]-3-fluorophenol
CID 55292217
3-[(1R)-1-amino-3-hydroxypropyl]-4-bromophenol
CID 131075568
4-(1-amino-3-hydroxypropyl)-3-fluorobenzonitrile
CID 55298049
4-[(1S)-1-amino-2,2-difluoro-3-hydroxypropyl]-3-fluorophenol
CID 131559931
3-(1-amino-3-hydroxypropyl)-4-ethylphenol
CID 55269624
4-[(1R)-1-amino-2-cyclopropylethyl]-3-fluorophenol;hydrochloride
CID 171199182

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol?
The IUPAC name of 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol (CID 55270720) is 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol.
What is the SMILES notation for 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol?
The canonical SMILES for 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol is N[C@@H](CCO)c1ccc(O)cc1F.
What is the InChIKey of 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol?
The InChIKey is XYQASTUUHAQPHG-VIFPVBQESA-N. The full InChI is InChI=1S/C9H12FNO2/c10-8-5-6(13)1-2-7(8)9(11)3-4-12/h1-2,5,9,12-13H,3-4,11H2/t9-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol?
4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol has a molecular weight of 185.20 g/mol, XLogP of 0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-3-hydroxypropyl]-3-fluorophenol is sourced from PubChem (CID 55270720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).