(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride

C9H10ClFN2 — CID 171260293

IUPAC(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1ccccc1F
InChIInChI=1S/C9H9FN2.ClH/c10-8-4-2-1-3-7(8)9(12)5-6-11;/h1-4,9H,5,12H2;1H/t9-;/m1./s1
InChIKeyNTZPSXIXBZQTGA-SBSPUUFOSA-N
MW200.64 g/mol
LogP2.16
Rot. Bonds2

About (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride

(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride (PubChem CID 171260293) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
PubChem CID171260293
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride
SMILESCl.N#CC[C@@H](N)c1ccccc1F
InChIInChI=1S/C9H9FN2.ClH/c10-8-4-2-1-3-7(8)9(12)5-6-11;/h1-4,9H,5,12H2;1H/t9-;/m1./s1
InChIKeyNTZPSXIXBZQTGA-SBSPUUFOSA-N
XLogP2.16
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.64
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(2,3-difluorophenyl)propanenitrile
CID 130649067
(3S)-3-amino-3-(2,6-difluorophenyl)propanenitrile;hydrochloride
CID 171259948
2-[(1S)-1-amino-2-cyanoethyl]benzonitrile;hydrochloride
CID 171259902
(1S)-1-(2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 66516599
(3S)-3-amino-3-(2-fluoro-4-methylphenyl)propanenitrile;hydrochloride
CID 171259899
(3S)-3-amino-3-(5-bromo-2-fluorophenyl)propanenitrile
CID 130969387
(3S)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile;hydrochloride
CID 171260087
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
(3R)-3-amino-3-(2-fluoro-5-methylphenyl)propanenitrile
CID 55275953
(1S)-3,3-difluoro-1-(2-fluorophenyl)propan-1-amine;hydrochloride
CID 171312830
(3S)-3-amino-3-[2-(4-chlorophenyl)sulfanylphenyl]propanenitrile
CID 171260206
(3R)-3-amino-3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 171260551

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride?
The IUPAC name of (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride (CID 171260293) is (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride is Cl.N#CC[C@@H](N)c1ccccc1F.
What is the InChIKey of (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride?
The InChIKey is NTZPSXIXBZQTGA-SBSPUUFOSA-N. The full InChI is InChI=1S/C9H9FN2.ClH/c10-8-4-2-1-3-7(8)9(12)5-6-11;/h1-4,9H,5,12H2;1H/t9-;/m1./s1.
What are the key properties of (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride?
(3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride has a molecular weight of 200.64 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(2-fluorophenyl)propanenitrile;hydrochloride is sourced from PubChem (CID 171260293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).