2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride

C9H10ClFN2 — CID 171221581

IUPAC2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1[C@@H](N)CF
InChIInChI=1S/C9H9FN2.ClH/c10-5-9(12)8-4-2-1-3-7(8)6-11;/h1-4,9H,5,12H2;1H/t9-;/m0./s1
InChIKeyZYMXISYKSLSYLZ-FVGYRXGTSA-N
MW200.64 g/mol
LogP1.95
Rot. Bonds2

About 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride

2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride (PubChem CID 171221581) has the molecular formula C9H10ClFN2 and a molecular weight of 200.64 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride
PubChem CID171221581
Molecular FormulaC9H10ClFN2
Molecular Weight200.64 g/mol
Exact Mass200.05
IUPAC Name2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride
SMILESCl.N#Cc1ccccc1[C@@H](N)CF
InChIInChI=1S/C9H9FN2.ClH/c10-5-9(12)8-4-2-1-3-7(8)6-11;/h1-4,9H,5,12H2;1H/t9-;/m0./s1
InChIKeyZYMXISYKSLSYLZ-FVGYRXGTSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(1R)-1,4-diaminobutyl]benzonitrile;hydrochloride
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2-[(1S)-1-amino-4-methylpentyl]benzonitrile
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2-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171221589
2-[(1S)-1-amino-2,2,2-trifluoroethyl]benzonitrile;hydrochloride
CID 162309012
2-[(1S)-1-amino-4-hydroxybutyl]benzonitrile
CID 171221617
2-[amino(hydroxy)methyl]benzonitrile
CID 22991713
2-[amino(phenyl)methyl]benzonitrile;hydrochloride
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2-[(1S)-1-aminoprop-2-enyl]benzonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride (CID 171221581) is 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride is Cl.N#Cc1ccccc1[C@@H](N)CF.
What is the InChIKey of 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride?
The InChIKey is ZYMXISYKSLSYLZ-FVGYRXGTSA-N. The full InChI is InChI=1S/C9H9FN2.ClH/c10-5-9(12)8-4-2-1-3-7(8)6-11;/h1-4,9H,5,12H2;1H/t9-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride?
2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride has a molecular weight of 200.64 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-amino-2-fluoroethyl]benzonitrile;hydrochloride is sourced from PubChem (CID 171221581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).