(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol

C11H15F2NO — CID 171160289

IUPAC(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-2-3-10(15)11(14)8-6-7(12)4-5-9(8)13/h4-6,10-11,15H,2-3,14H2,1H3/t10-,11+/m0/s1
InChIKeyVDDFITKWOGEVLS-WDEREUQCSA-N
MW215.24 g/mol
LogP2.13
Rot. Bonds4

About (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol

(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol (PubChem CID 171160289) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
PubChem CID171160289
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
SMILESCCC[C@H](O)[C@H](N)c1cc(F)ccc1F
InChIInChI=1S/C11H15F2NO/c1-2-3-10(15)11(14)8-6-7(12)4-5-9(8)13/h4-6,10-11,15H,2-3,14H2,1H3/t10-,11+/m0/s1
InChIKeyVDDFITKWOGEVLS-WDEREUQCSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
CID 171267367
(1R,2S)-1-amino-1-(5-fluoro-2-methoxyphenyl)pentan-2-ol;hydrochloride
CID 171262540
(1R,2S)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171160160
(1S,2R)-1-amino-1-(2,4,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171161591
(1S,2R)-1-amino-1-(2,3,5-trifluorophenyl)pentan-2-ol;hydrochloride
CID 171268186
(1R,2R)-1-amino-1-(2,5-difluorophenyl)propan-2-ol
CID 130697354
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
CID 171266085
1-(2,4-difluorophenyl)pentane-1,2-diol
CID 103455031
(1S,2R)-1-amino-1-(2,4-difluorophenyl)-5-methylhexan-2-ol
CID 171266705
(1R,2S)-1-amino-1-(4-fluoro-3-methylphenyl)pentan-2-ol;hydrochloride
CID 171262216
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171261683

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol (CID 171160289) is (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol is CCC[C@H](O)[C@H](N)c1cc(F)ccc1F.
What is the InChIKey of (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol?
The InChIKey is VDDFITKWOGEVLS-WDEREUQCSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-2-3-10(15)11(14)8-6-7(12)4-5-9(8)13/h4-6,10-11,15H,2-3,14H2,1H3/t10-,11+/m0/s1.
What are the key properties of (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol?
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol has a molecular weight of 215.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol is sourced from PubChem (CID 171160289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).