(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride

C11H16Cl2FNO — CID 171267367

IUPAC(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C11H15ClFNO.ClH/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;1H/t10-,11+;/m1./s1
InChIKeyLFWJRHVLXREQFJ-DHXVBOOMSA-N
MW268.16 g/mol
LogP3.06
Rot. Bonds4

About (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride

(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride (PubChem CID 171267367) has the molecular formula C11H16Cl2FNO and a molecular weight of 268.16 g/mol. Its IUPAC name is (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
PubChem CID171267367
Molecular FormulaC11H16Cl2FNO
Molecular Weight268.16 g/mol
Exact Mass267.06
IUPAC Name(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride
SMILESCCC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1F.Cl
InChIInChI=1S/C11H15ClFNO.ClH/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;1H/t10-,11+;/m1./s1
InChIKeyLFWJRHVLXREQFJ-DHXVBOOMSA-N
XLogP3.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)-5-methylhexan-2-ol;hydrochloride
CID 171261683
(1S,2R)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171161723
(1R,2S)-1-amino-1-(2,5-difluorophenyl)pentan-2-ol
CID 171160289
(1R,2S)-1-amino-1-(2-bromo-5-chlorophenyl)pentan-2-ol;hydrochloride
CID 171262038
(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-bromo-4-chlorophenyl)pentan-2-ol;hydrochloride
CID 171267737
(1R,2S)-1-amino-1-(5-chloro-2-fluorophenyl)propan-2-ol;hydrochloride
CID 171261661
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol;hydrochloride
CID 171265212
2-[(1R,2S)-1-amino-2-hydroxypentyl]-6-fluorophenol;hydrochloride
CID 171260986
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
CID 171266085
(1R,2S)-1-amino-1-(2,3,5-trichlorophenyl)pentan-2-ol
CID 171265211

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride?
The IUPAC name of (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride (CID 171267367) is (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride.
What is the SMILES notation for (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride?
The canonical SMILES for (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride is CCC[C@@H](O)[C@@H](N)c1cc(Cl)ccc1F.Cl.
What is the InChIKey of (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride?
The InChIKey is LFWJRHVLXREQFJ-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15ClFNO.ClH/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;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride?
(1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride has a molecular weight of 268.16 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-amino-1-(5-chloro-2-fluorophenyl)pentan-2-ol;hydrochloride is sourced from PubChem (CID 171267367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).