(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile

C8H4Cl2FN — CID 94056862

IUPAC(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
SMILESN#C[C@H](Cl)c1c(F)cccc1Cl
InChIInChI=1S/C8H4Cl2FN/c9-5-2-1-3-7(11)8(5)6(10)4-12/h1-3,6H/t6-/m0/s1
InChIKeyFSOVTOZIYHZIDE-LURJTMIESA-N
MW204.03 g/mol
LogP3.28
Rot. Bonds1

About (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile

(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile (PubChem CID 94056862) has the molecular formula C8H4Cl2FN and a molecular weight of 204.03 g/mol. Its IUPAC name is (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
PubChem CID94056862
Molecular FormulaC8H4Cl2FN
Molecular Weight204.03 g/mol
Exact Mass202.97
IUPAC Name(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
SMILESN#C[C@H](Cl)c1c(F)cccc1Cl
InChIInChI=1S/C8H4Cl2FN/c9-5-2-1-3-7(11)8(5)6(10)4-12/h1-3,6H/t6-/m0/s1
InChIKeyFSOVTOZIYHZIDE-LURJTMIESA-N
XLogP3.28
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.03
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056861
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile
CID 90934428
2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
CID 82139456
2-(2-chloro-6-fluorophenyl)-4-methylpentanenitrile
CID 82080909
4-(2-chloro-6-fluorophenyl)-3,4-dihydroxybutanenitrile
CID 171900532
2-(2-chloroanilino)-2-(2,6-difluorophenyl)acetonitrile
CID 54887309
2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]pentanenitrile
CID 79412323
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
CID 13352447
2-(2-chloro-6-fluorophenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 43334022
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714

Frequently Asked Questions

What is the IUPAC name of (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile?
The IUPAC name of (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile (CID 94056862) is (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile is N#C[C@H](Cl)c1c(F)cccc1Cl.
What is the InChIKey of (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile?
The InChIKey is FSOVTOZIYHZIDE-LURJTMIESA-N. The full InChI is InChI=1S/C8H4Cl2FN/c9-5-2-1-3-7(11)8(5)6(10)4-12/h1-3,6H/t6-/m0/s1.
What are the key properties of (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile?
(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile has a molecular weight of 204.03 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile is sourced from PubChem (CID 94056862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).