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

C10H14FNO2 — CID 131131076

IUPAC4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
SMILESCC[C@H](O)[C@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-2-8(13)10(12)6-3-4-9(14)7(11)5-6/h3-5,8,10,13-14H,2,12H2,1H3/t8-,10+/m0/s1
InChIKeyMBAPZHXYQQDIRP-WCBMZHEXSA-N
MW199.22 g/mol
LogP1.30
Rot. Bonds3

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

4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol (PubChem CID 131131076) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
PubChem CID131131076
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Name4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
SMILESCC[C@H](O)[C@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C10H14FNO2/c1-2-8(13)10(12)6-3-4-9(14)7(11)5-6/h3-5,8,10,13-14H,2,12H2,1H3/t8-,10+/m0/s1
InChIKeyMBAPZHXYQQDIRP-WCBMZHEXSA-N
XLogP1.30
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
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

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Related Compounds

4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
CID 171161401
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
4-[(1R)-1-amino-2,2-difluoroethyl]-2-fluorophenol
CID 130700955
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652
2-fluoro-4-[4-(3-fluoro-4-hydroxyphenyl)hexan-3-yl]phenol
CID 13147086
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol
CID 171159873
(1R,2S)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-2-ol;hydrochloride
CID 171159874
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
1-amino-1-(3,5-difluorophenyl)butan-2-ol
CID 130150345
4-[(1S)-1-amino-3,3-difluoropropyl]-2-fluorophenol
CID 131499575

Frequently Asked Questions

What is the IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol?
The IUPAC name of 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol (CID 131131076) is 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol?
The canonical SMILES for 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol is CC[C@H](O)[C@H](N)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol?
The InChIKey is MBAPZHXYQQDIRP-WCBMZHEXSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-2-8(13)10(12)6-3-4-9(14)7(11)5-6/h3-5,8,10,13-14H,2,12H2,1H3/t8-,10+/m0/s1.
What are the key properties of 4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol?
4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol has a molecular weight of 199.22 g/mol, XLogP of 1.30, 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-hydroxybutyl]-2-fluorophenol is sourced from PubChem (CID 131131076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).