4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol

C11H16FNO2 — CID 131484001

IUPAC4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
SMILESCC(C)[C@H](O)[C@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-6(2)11(15)10(13)7-3-4-9(14)8(12)5-7/h3-6,10-11,14-15H,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyWOVJKUFTOZFCHK-MNOVXSKESA-N
MW213.25 g/mol
LogP1.55
Rot. Bonds3

About 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol

4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol (PubChem CID 131484001) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
PubChem CID131484001
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
SMILESCC(C)[C@H](O)[C@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-6(2)11(15)10(13)7-3-4-9(14)8(12)5-7/h3-6,10-11,14-15H,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyWOVJKUFTOZFCHK-MNOVXSKESA-N
XLogP1.55
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
5-[(1R,2R)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 130859320
2-fluoro-4-[(1R)-1-hydrazinylethyl]phenol
CID 124537732
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]phenol
CID 130975039
5-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-2-methoxyphenol
CID 171162182
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol (CID 131484001) is 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol is CC(C)[C@H](O)[C@H](N)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol?
The InChIKey is WOVJKUFTOZFCHK-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16FNO2/c1-6(2)11(15)10(13)7-3-4-9(14)8(12)5-7/h3-6,10-11,14-15H,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol?
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol has a molecular weight of 213.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol is sourced from PubChem (CID 131484001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).