(2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile

C9H7Cl2FN2 — CID 131131645

IUPAC(2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile
SMILESC[C@](N)(C#N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C9H7Cl2FN2/c1-9(14,4-13)7-5(10)2-3-6(12)8(7)11/h2-3H,14H2,1H3/t9-/m0/s1
InChIKeyNEEMYWXYSXLELW-VIFPVBQESA-N
MW233.07 g/mol
LogP2.83
Rot. Bonds1

About (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile

(2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile (PubChem CID 131131645) has the molecular formula C9H7Cl2FN2 and a molecular weight of 233.07 g/mol. Its IUPAC name is (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile
PubChem CID131131645
Molecular FormulaC9H7Cl2FN2
Molecular Weight233.07 g/mol
Exact Mass232.00
IUPAC Name(2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile
SMILESC[C@](N)(C#N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C9H7Cl2FN2/c1-9(14,4-13)7-5(10)2-3-6(12)8(7)11/h2-3H,14H2,1H3/t9-/m0/s1
InChIKeyNEEMYWXYSXLELW-VIFPVBQESA-N
XLogP2.83
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile?
The IUPAC name of (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile (CID 131131645) is (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile.
What is the SMILES notation for (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile?
The canonical SMILES for (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile is C[C@](N)(C#N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile?
The InChIKey is NEEMYWXYSXLELW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H7Cl2FN2/c1-9(14,4-13)7-5(10)2-3-6(12)8(7)11/h2-3H,14H2,1H3/t9-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile?
(2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile has a molecular weight of 233.07 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2,6-dichloro-3-fluorophenyl)propanenitrile is sourced from PubChem (CID 131131645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).