(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride

C10H15ClFNO2 — CID 70052639

IUPAC(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)CCOc1cccc(F)c1
InChIInChI=1S/C10H14FNO2.ClH/c11-8-2-1-3-10(6-8)14-5-4-9(12)7-13;/h1-3,6,9,13H,4-5,7,12H2;1H/t9-;/m0./s1
InChIKeyOQKZFYPJQQFFNX-FVGYRXGTSA-N
MW235.69 g/mol
LogP1.34
Rot. Bonds5

About (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride

(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride (PubChem CID 70052639) has the molecular formula C10H15ClFNO2 and a molecular weight of 235.69 g/mol. Its IUPAC name is (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
PubChem CID70052639
Molecular FormulaC10H15ClFNO2
Molecular Weight235.69 g/mol
Exact Mass235.08
IUPAC Name(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride
SMILESCl.N[C@H](CO)CCOc1cccc(F)c1
InChIInChI=1S/C10H14FNO2.ClH/c11-8-2-1-3-10(6-8)14-5-4-9(12)7-13;/h1-3,6,9,13H,4-5,7,12H2;1H/t9-;/m0./s1
InChIKeyOQKZFYPJQQFFNX-FVGYRXGTSA-N
XLogP1.34
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.69
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-(3-fluorophenoxy)butanoic acid
CID 63039916
2-amino-4-[3-(dimethylamino)phenoxy]butan-1-ol
CID 64809356
6-(3-fluorophenoxy)hexan-3-amine
CID 106800736
2-amino-4-(3-fluorophenoxy)butanenitrile
CID 63028827
4-(3-fluorophenoxy)-2-(propylamino)butan-1-ol
CID 64804364
(1R)-3-(3-fluorophenoxy)-1-phenylpropan-1-ol
CID 112742208
6-(3-fluorophenoxy)hexan-3-ol
CID 106802653
methyl 4-(3-fluorophenoxy)-2-(methylamino)butanoate
CID 63040092
2-(3-fluorophenoxy)ethanethiol
CID 79002331
4-(3-fluorophenoxy)butane-1,3-diol
CID 117236747
1-(3-fluorophenoxy)-3-methylbutan-2-amine;hydrochloride
CID 86262538
4-(3-fluorophenoxy)-2-(methylamino)butanoic acid
CID 63040093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride?
The IUPAC name of (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride (CID 70052639) is (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride.
What is the SMILES notation for (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride?
The canonical SMILES for (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride is Cl.N[C@H](CO)CCOc1cccc(F)c1.
What is the InChIKey of (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride?
The InChIKey is OQKZFYPJQQFFNX-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H14FNO2.ClH/c11-8-2-1-3-10(6-8)14-5-4-9(12)7-13;/h1-3,6,9,13H,4-5,7,12H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride?
(2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride has a molecular weight of 235.69 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-4-(3-fluorophenoxy)butan-1-ol;hydrochloride is sourced from PubChem (CID 70052639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).