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

C8H6ClFN2 — CID 28700571

IUPAC(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
SMILESN#C[C@H](N)c1c(F)cccc1Cl
InChIInChI=1S/C8H6ClFN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,12H2/t7-/m0/s1
InChIKeyJYJKMAOOMMXHOM-ZETCQYMHSA-N
MW184.60 g/mol
LogP2.00
Rot. Bonds1

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

(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile (PubChem CID 28700571) has the molecular formula C8H6ClFN2 and a molecular weight of 184.60 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
PubChem CID28700571
Molecular FormulaC8H6ClFN2
Molecular Weight184.60 g/mol
Exact Mass184.02
IUPAC Name(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
SMILESN#C[C@H](N)c1c(F)cccc1Cl
InChIInChI=1S/C8H6ClFN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,12H2/t7-/m0/s1
InChIKeyJYJKMAOOMMXHOM-ZETCQYMHSA-N
XLogP2.00
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.60
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(2,6-dichlorophenyl)acetonitrile;hydrochloride
CID 13352447
(2S)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056861
(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056862
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile
CID 90934428
(1S)-1-(2-chloro-6-fluorophenyl)-2-fluoroethanamine
CID 124707714
2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
CID 82139456
3-(2-chloro-6-fluorophenyl)butan-2-amine
CID 126977015
2-(2-chloro-6-fluorophenyl)-4-methylpentanenitrile
CID 82080909
(2R)-2-amino-2-(6-chloro-2-fluoro-3-methylphenyl)acetonitrile
CID 130695932
(2-chloro-6-fluorophenyl)-(2-methylcyclopropyl)methanamine
CID 130512104
(1S)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine
CID 131585694

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile?
The IUPAC name of (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile (CID 28700571) is (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile.
What is the SMILES notation for (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile?
The canonical SMILES for (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile is N#C[C@H](N)c1c(F)cccc1Cl.
What is the InChIKey of (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile?
The InChIKey is JYJKMAOOMMXHOM-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H6ClFN2/c9-5-2-1-3-6(10)8(5)7(12)4-11/h1-3,7H,12H2/t7-/m0/s1.
What are the key properties of (2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile?
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile has a molecular weight of 184.60 g/mol, XLogP of 2.00, 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-chloro-6-fluorophenyl)acetonitrile is sourced from PubChem (CID 28700571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).