2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol

C10H14FNO2 — CID 55265560

IUPAC2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol
SMILESN[C@H](CCCO)c1ccc(F)cc1O
InChIInChI=1S/C10H14FNO2/c11-7-3-4-8(10(14)6-7)9(12)2-1-5-13/h3-4,6,9,13-14H,1-2,5,12H2/t9-/m1/s1
InChIKeyPFJPPOCWZKWWPI-SECBINFHSA-N
MW199.22 g/mol
LogP1.30
Rot. Bonds4

About 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol

2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol (PubChem CID 55265560) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol.

Molecular Properties

Compound Name2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol
PubChem CID55265560
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol
SMILESN[C@H](CCCO)c1ccc(F)cc1O
InChIInChI=1S/C10H14FNO2/c11-7-3-4-8(10(14)6-7)9(12)2-1-5-13/h3-4,6,9,13-14H,1-2,5,12H2/t9-/m1/s1
InChIKeyPFJPPOCWZKWWPI-SECBINFHSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

4-amino-4-(2,5-difluorophenyl)butan-1-ol
CID 116861415
2-[(1S)-1-amino-4-hydroxybutyl]-5-bromophenol
CID 171224302
2-[(1R)-1-amino-4-hydroxybutyl]-5-methylphenol;hydrochloride
CID 171212431
(3S)-3-amino-3-(2,4-difluorophenyl)propan-1-ol;hydrochloride
CID 126963755
3-amino-3-(2-bromo-4-fluorophenyl)propan-1-ol
CID 84706428
(3R)-3-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 55264636
(4S)-4-amino-4-(5-fluoro-2-nitrophenyl)butan-1-ol
CID 171225623
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
3-[(1S)-1-amino-4-hydroxybutyl]benzene-1,2-diol
CID 171220556
4-[(1R)-1-amino-3-hydroxypropyl]benzene-1,3-diol;hydrochloride
CID 171200142
2-[(1R)-1-amino-4-hydroxybutyl]-5-phenylmethoxyphenol
CID 171214502
(1R)-1-(2,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171199026

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol?
The IUPAC name of 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol (CID 55265560) is 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol.
What is the SMILES notation for 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol?
The canonical SMILES for 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol is N[C@H](CCCO)c1ccc(F)cc1O.
What is the InChIKey of 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol?
The InChIKey is PFJPPOCWZKWWPI-SECBINFHSA-N. The full InChI is InChI=1S/C10H14FNO2/c11-7-3-4-8(10(14)6-7)9(12)2-1-5-13/h3-4,6,9,13-14H,1-2,5,12H2/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol?
2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol has a molecular weight of 199.22 g/mol, XLogP of 1.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-4-hydroxybutyl]-5-fluorophenol is sourced from PubChem (CID 55265560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).