5-(3-amino-1-hydroxypropyl)-2-fluorophenol

C9H12FNO2 — CID 84769630

IUPAC5-(3-amino-1-hydroxypropyl)-2-fluorophenol
SMILESNCCC(O)c1ccc(F)c(O)c1
InChIInChI=1S/C9H12FNO2/c10-7-2-1-6(5-9(7)13)8(12)3-4-11/h1-2,5,8,12-13H,3-4,11H2
InChIKeySQLBYCICPACNSQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.91
Rot. Bonds3

About 5-(3-amino-1-hydroxypropyl)-2-fluorophenol

5-(3-amino-1-hydroxypropyl)-2-fluorophenol (PubChem CID 84769630) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 5-(3-amino-1-hydroxypropyl)-2-fluorophenol.

Molecular Properties

Compound Name5-(3-amino-1-hydroxypropyl)-2-fluorophenol
PubChem CID84769630
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name5-(3-amino-1-hydroxypropyl)-2-fluorophenol
SMILESNCCC(O)c1ccc(F)c(O)c1
InChIInChI=1S/C9H12FNO2/c10-7-2-1-6(5-9(7)13)8(12)3-4-11/h1-2,5,8,12-13H,3-4,11H2
InChIKeySQLBYCICPACNSQ-UHFFFAOYSA-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

(1S)-3-amino-1-(3-chloro-4-fluorophenyl)propan-1-ol
CID 96845808
4-amino-1-(3,4-difluorophenyl)butan-1-ol
CID 82048635
5-(1,2-diaminoethyl)-2-fluorophenol
CID 55283589
5-[(1S)-1-amino-3-hydroxypropyl]-2-fluorophenol
CID 55270722
5-(2-amino-1-hydroxybutyl)-2-fluorophenol
CID 123621171
5-(1-amino-3-methylbutan-2-yl)-2-fluorophenol
CID 83699285
3-amino-1-(3,4-dichlorophenyl)propan-1-ol;hydrochloride
CID 140626356
3-amino-1-naphthalen-2-ylpropan-1-ol
CID 65184856
2-(3-amino-1-hydroxypropyl)-3,4-difluorophenol
CID 84671264
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
3-amino-1-(4-ethylphenyl)propan-1-ol
CID 55269424
4-[(1S)-1-hydroxybutyl]benzene-1,2-diol;4-[(1R)-1-hydroxybutyl]benzene-1,2-diol
CID 162227064

Frequently Asked Questions

What is the IUPAC name of 5-(3-amino-1-hydroxypropyl)-2-fluorophenol?
The IUPAC name of 5-(3-amino-1-hydroxypropyl)-2-fluorophenol (CID 84769630) is 5-(3-amino-1-hydroxypropyl)-2-fluorophenol.
What is the SMILES notation for 5-(3-amino-1-hydroxypropyl)-2-fluorophenol?
The canonical SMILES for 5-(3-amino-1-hydroxypropyl)-2-fluorophenol is NCCC(O)c1ccc(F)c(O)c1.
What is the InChIKey of 5-(3-amino-1-hydroxypropyl)-2-fluorophenol?
The InChIKey is SQLBYCICPACNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-7-2-1-6(5-9(7)13)8(12)3-4-11/h1-2,5,8,12-13H,3-4,11H2.
What are the key properties of 5-(3-amino-1-hydroxypropyl)-2-fluorophenol?
5-(3-amino-1-hydroxypropyl)-2-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 5-(3-amino-1-hydroxypropyl)-2-fluorophenol is sourced from PubChem (CID 84769630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).