potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide

C10H13FKNO2 — CID 163265760

IUPACpotassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide
SMILESCOc1c(F)cccc1C(O)CC[NH-].[K+]
InChIInChI=1S/C10H13FNO2.K/c1-14-10-7(9(13)5-6-12)3-2-4-8(10)11;/h2-4,9,12-13H,5-6H2,1H3;/q-1;+1
InChIKeyHLCYJNUZHKFGCS-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.69
Rot. Bonds4

About potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide

potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide (PubChem CID 163265760) has the molecular formula C10H13FKNO2 and a molecular weight of 237.31 g/mol. Its IUPAC name is potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide.

Molecular Properties

Compound Namepotassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide
PubChem CID163265760
Molecular FormulaC10H13FKNO2
Molecular Weight237.31 g/mol
Exact Mass237.06
IUPAC Namepotassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide
SMILESCOc1c(F)cccc1C(O)CC[NH-].[K+]
InChIInChI=1S/C10H13FNO2.K/c1-14-10-7(9(13)5-6-12)3-2-4-8(10)11;/h2-4,9,12-13H,5-6H2,1H3;/q-1;+1
InChIKeyHLCYJNUZHKFGCS-UHFFFAOYSA-N
XLogP-0.69
TPSA53.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-2-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823857
(1S,2R)-1-amino-1-(3-fluoro-2-methoxyphenyl)hexan-2-ol;hydrochloride
CID 171267207
(1R,2R)-2-amino-1-(3-fluoro-2-methoxyphenyl)propan-1-ol
CID 96760175
(1S)-3-fluoro-1-(3-fluoro-2-methoxyphenyl)propan-1-amine
CID 171221280
2-(3-fluoro-2-methoxyphenyl)propan-1-amine;hydrobromide
CID 117414447
(2R)-2-amino-2-(3-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 121235718
1-(2,3-dimethoxyphenyl)-5,5,5-trifluoropentan-1-ol
CID 115515400
(1R,2S)-1-amino-1-(3-fluoro-2-methoxyphenyl)butan-2-ol;hydrochloride
CID 171261502
(1S)-1-(3-fluoro-2-methoxyphenyl)butane-1,4-diamine
CID 171221260
(1R)-1-(2,3-dimethoxyphenyl)octan-1-ol
CID 124562849
(2R,3R)-3-amino-1,1,1-trifluoro-3-(3-fluoro-2-methoxyphenyl)propan-2-ol;hydrochloride
CID 171261516
1-(2,3-dimethoxyphenyl)hex-5-yn-1-ol
CID 113374232

Frequently Asked Questions

What is the IUPAC name of potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide?
The IUPAC name of potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide (CID 163265760) is potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide.
What is the SMILES notation for potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide?
The canonical SMILES for potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide is COc1c(F)cccc1C(O)CC[NH-].[K+].
What is the InChIKey of potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide?
The InChIKey is HLCYJNUZHKFGCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FNO2.K/c1-14-10-7(9(13)5-6-12)3-2-4-8(10)11;/h2-4,9,12-13H,5-6H2,1H3;/q-1;+1.
What are the key properties of potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide?
potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide has a molecular weight of 237.31 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium [3-(3-fluoro-2-methoxyphenyl)-3-hydroxypropyl]azanide is sourced from PubChem (CID 163265760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).