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

C9H12ClF2NO — CID 171204525

IUPAC(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-13;/h3-5,9,13H,1-2,12H2;1H/t9-;/m1./s1
InChIKeyZOFXWSVTHVFYMQ-SBSPUUFOSA-N
MW223.65 g/mol
LogP1.77
Rot. Bonds3

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

(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride (PubChem CID 171204525) has the molecular formula C9H12ClF2NO and a molecular weight of 223.65 g/mol. Its IUPAC name is (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
PubChem CID171204525
Molecular FormulaC9H12ClF2NO
Molecular Weight223.65 g/mol
Exact Mass223.06
IUPAC Name(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride
SMILESCl.N[C@H](CCO)c1cc(F)cc(F)c1
InChIInChI=1S/C9H11F2NO.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-13;/h3-5,9,13H,1-2,12H2;1H/t9-;/m1./s1
InChIKeyZOFXWSVTHVFYMQ-SBSPUUFOSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride (CID 171204525) is (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride is Cl.N[C@H](CCO)c1cc(F)cc(F)c1.
What is the InChIKey of (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride?
The InChIKey is ZOFXWSVTHVFYMQ-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H11F2NO.ClH/c10-7-3-6(4-8(11)5-7)9(12)1-2-13;/h3-5,9,13H,1-2,12H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride?
(3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride has a molecular weight of 223.65 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(3,5-difluorophenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 171204525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).