2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile

C10H10ClFN2 — CID 114859351

IUPAC2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFN2/c1-14(2)10(6-13)8-5-7(11)3-4-9(8)12/h3-5,10H,1-2H3
InChIKeyXEPDFFIONQOQOU-UHFFFAOYSA-N
MW212.66 g/mol
LogP2.61
Rot. Bonds2

About 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile

2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile (PubChem CID 114859351) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile
PubChem CID114859351
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1cc(Cl)ccc1F
InChIInChI=1S/C10H10ClFN2/c1-14(2)10(6-13)8-5-7(11)3-4-9(8)12/h3-5,10H,1-2H3
InChIKeyXEPDFFIONQOQOU-UHFFFAOYSA-N
XLogP2.61
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-chloro-2-fluorophenyl)-3-(dimethylamino)propanenitrile
CID 116909950
(2R)-2-amino-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 130634473
2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)ethanethiol
CID 116908834
1-(5-chloro-2-fluorophenyl)-1-N,1-N-dimethylpentane-1,4-diamine
CID 116905600
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
2-(5-chloro-2-fluorophenyl)-2-(2-methylanilino)acetonitrile
CID 114843485
2-[butyl(methyl)amino]-2-(2,4-dichlorophenyl)acetonitrile
CID 84757701
1-(5-chloro-2-fluorophenyl)-N-methyl-N-propylethane-1,2-diamine
CID 114842862
N-butan-2-yl-1-(5-chloro-2-fluorophenyl)-N-methylethane-1,2-diamine
CID 114842864
2-(5-chloro-2-fluorophenyl)-2-(2-hydroxyethylamino)acetonitrile
CID 114843588
2-(2-bromo-5-chlorophenyl)propanenitrile
CID 130134968
(5-chloro-2-fluorophenyl)methyl-methylcyanamide
CID 117043375

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile?
The IUPAC name of 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile (CID 114859351) is 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile is CN(C)C(C#N)c1cc(Cl)ccc1F.
What is the InChIKey of 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile?
The InChIKey is XEPDFFIONQOQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-14(2)10(6-13)8-5-7(11)3-4-9(8)12/h3-5,10H,1-2H3.
What are the key properties of 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile?
2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile has a molecular weight of 212.66 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-fluorophenyl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 114859351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).