(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile

C8H6Cl2N2 — CID 30082276

IUPAC(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H6Cl2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1
InChIKeyOIJOTGFCYGNHDS-QMMMGPOBSA-N
MW201.06 g/mol
LogP2.52
Rot. Bonds1

About (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile

(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile (PubChem CID 30082276) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
PubChem CID30082276
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Name(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
SMILESN#C[C@H](N)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H6Cl2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1
InChIKeyOIJOTGFCYGNHDS-QMMMGPOBSA-N
XLogP2.52
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-2-(3,4-dichlorophenyl)acetonitrile
CID 30082279
(2S)-2-amino-2-(4-chloro-3-methylphenyl)acetonitrile
CID 130685286
(2S)-2-amino-2-(4-bromo-3-chlorophenyl)acetonitrile
CID 131057211
(4R)-4-amino-4-(3,4-dichlorophenyl)butanenitrile
CID 86705554
(2R)-2-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 94256868
(2S)-2-(3,4-dichlorophenyl)-2-(methylamino)acetonitrile
CID 28899008
2-(3,4-dichlorophenyl)-3,3,3-trifluoropropanenitrile
CID 79559917
(1S,2R)-2-amino-1-(3,4-dichlorophenyl)propan-1-ol
CID 28743731
(2R)-2-amino-2-(4-aminophenyl)acetonitrile
CID 126961304
(2S)-2-(3,4-dichlorophenyl)-3-oxobutanenitrile
CID 86325553
ethyl 2,3-dicyano-3-(3,4-dichlorophenyl)propanoate
CID 131847806
(2R)-2-amino-2-(4-bromo-3-fluorophenyl)acetonitrile
CID 130055048

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile (CID 30082276) is (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile is N#C[C@H](N)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile?
The InChIKey is OIJOTGFCYGNHDS-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H6Cl2N2/c9-6-2-1-5(3-7(6)10)8(12)4-11/h1-3,8H,12H2/t8-/m0/s1.
What are the key properties of (2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile?
(2R)-2-amino-2-(3,4-dichlorophenyl)acetonitrile has a molecular weight of 201.06 g/mol, XLogP of 2.52, 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-(3,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 30082276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).