2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride

C9H12ClF2NO — CID 170891936

IUPAC2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO.ClH/c10-7-1-2-9(11)6(3-7)4-8(12)5-13;/h1-3,8,13H,4-5,12H2;1H
InChIKeyAXOCKOMGEDGTPA-UHFFFAOYSA-N
MW223.65 g/mol
LogP1.25
Rot. Bonds3

About 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride

2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride (PubChem CID 170891936) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
PubChem CID170891936
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.NC(CO)Cc1cc(F)ccc1F
InChIInChI=1S/C9H11F2NO.ClH/c10-7-1-2-9(11)6(3-7)4-8(12)5-13;/h1-3,8,13H,4-5,12H2;1H
InChIKeyAXOCKOMGEDGTPA-UHFFFAOYSA-N
XLogP1.25
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.65
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(4-fluoro-2-methylphenyl)propan-1-ol
CID 115649532
2-amino-3-(2-fluorophenyl)propan-1-ol;hydrochloride
CID 3048994
2-amino-3-[2-(2,4-difluorophenoxy)-5-fluorophenyl]propan-1-ol
CID 170893583
2-amino-3-(2,4,5-trifluorophenyl)propan-1-ol
CID 130874631
1-(2,5-difluorophenyl)-3-(4-methylphenyl)propan-2-amine
CID 62329924
2-[(2S)-2-amino-3-hydroxypropyl]-5-fluorobenzamide;hydrochloride
CID 70099503
2-amino-3-(2,3,4-trifluorophenyl)propan-1-ol;hydrochloride
CID 170892136
1-(2,5-difluorophenyl)-3-methylsulfonylpropan-2-amine
CID 82239345
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
1-(4-chlorophenyl)sulfanyl-3-(2,5-difluorophenyl)propan-2-amine
CID 66144761
1-(2,5-difluorophenyl)-5-methoxypentan-2-amine
CID 65092447

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride (CID 170891936) is 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride is Cl.NC(CO)Cc1cc(F)ccc1F.
What is the InChIKey of 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is AXOCKOMGEDGTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c10-7-1-2-9(11)6(3-7)4-8(12)5-13;/h1-3,8,13H,4-5,12H2;1H.
What are the key properties of 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride?
2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,5-difluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170891936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).