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

C11H16FNO2 — CID 171161401

IUPAC4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-2-3-10(15)11(13)7-4-5-9(14)8(12)6-7/h4-6,10-11,14-15H,2-3,13H2,1H3/t10-,11+/m1/s1
InChIKeyWRPXURUIJADCCZ-MNOVXSKESA-N
MW213.25 g/mol
LogP1.69
Rot. Bonds4

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

4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol (PubChem CID 171161401) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
PubChem CID171161401
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol
SMILESCCC[C@@H](O)[C@@H](N)c1ccc(O)c(F)c1
InChIInChI=1S/C11H16FNO2/c1-2-3-10(15)11(13)7-4-5-9(14)8(12)6-7/h4-6,10-11,14-15H,2-3,13H2,1H3/t10-,11+/m1/s1
InChIKeyWRPXURUIJADCCZ-MNOVXSKESA-N
XLogP1.69
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(1R,2S)-1-amino-2-hydroxybutyl]-2-fluorophenol
CID 131131076
(1S,2R)-1-amino-1-(4-bromo-3-fluorophenyl)pentan-2-ol
CID 171267227
4-[(1R)-1-aminobutyl]-2-fluorophenol;hydrochloride
CID 171198748
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2-fluorophenol
CID 55270469
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 171161304
(1R,2S)-1-amino-1-(4-fluoro-3-methoxyphenyl)pentan-2-ol
CID 171159915
(1R,2S)-1-amino-1-[3-fluoro-4-(trifluoromethoxy)phenyl]pentan-2-ol
CID 171263562
4-[(1R,2S)-1-amino-2-hydroxy-3-methylbutyl]-2-fluorophenol
CID 131484001
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]pentan-2-ol;hydrochloride
CID 171161305
4-[(1S,2R)-1-amino-2-hydroxypentyl]phenol
CID 171162104
4-(1-amino-2,2-difluoroethyl)-2-fluorophenol
CID 130062652

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol?
The IUPAC name of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol (CID 171161401) is 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol.
What is the SMILES notation for 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol?
The canonical SMILES for 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol is CCC[C@@H](O)[C@@H](N)c1ccc(O)c(F)c1.
What is the InChIKey of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol?
The InChIKey is WRPXURUIJADCCZ-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16FNO2/c1-2-3-10(15)11(13)7-4-5-9(14)8(12)6-7/h4-6,10-11,14-15H,2-3,13H2,1H3/t10-,11+/m1/s1.
What are the key properties of 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol?
4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol has a molecular weight of 213.25 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2R)-1-amino-2-hydroxypentyl]-2-fluorophenol is sourced from PubChem (CID 171161401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).