2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile

C8H4ClFN2O — CID 90934428

IUPAC2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile
SMILESN#CC(N=O)c1c(F)cccc1Cl
InChIInChI=1S/C8H4ClFN2O/c9-5-2-1-3-6(10)8(5)7(4-11)12-13/h1-3,7H
InChIKeyHMRAUMQMVYZBBB-UHFFFAOYSA-N
MW198.58 g/mol
LogP2.81
Rot. Bonds2

About 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile

2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile (PubChem CID 90934428) has the molecular formula C8H4ClFN2O and a molecular weight of 198.58 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile
PubChem CID90934428
Molecular FormulaC8H4ClFN2O
Molecular Weight198.58 g/mol
Exact Mass198.00
IUPAC Name2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile
SMILESN#CC(N=O)c1c(F)cccc1Cl
InChIInChI=1S/C8H4ClFN2O/c9-5-2-1-3-6(10)8(5)7(4-11)12-13/h1-3,7H
InChIKeyHMRAUMQMVYZBBB-UHFFFAOYSA-N
XLogP2.81
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.58
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056862
(2R)-2-amino-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 28700571
(2S)-2-chloro-2-(2-chloro-6-fluorophenyl)acetonitrile
CID 94056861
2-(2-chloro-6-fluorophenyl)-3-(2,6-dichlorophenyl)propanenitrile
CID 82139456
2-(2-chloro-6-fluorophenyl)-4-methylpentanenitrile
CID 82080909
2-(2-chloro-6-fluorophenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 43334022
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)-3-(3,5-dibromophenyl)-3-oxopropanenitrile
CID 107972423
2-(2-chloro-6-fluorophenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 113422114
2-[(2-chloro-6-fluorophenyl)-hydroxymethyl]pentanenitrile
CID 79412323
2-(2-chloro-6-fluorophenyl)-3-(2-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79213195

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile (CID 90934428) is 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile is N#CC(N=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile?
The InChIKey is HMRAUMQMVYZBBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClFN2O/c9-5-2-1-3-6(10)8(5)7(4-11)12-13/h1-3,7H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile?
2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile has a molecular weight of 198.58 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-2-nitrosoacetonitrile is sourced from PubChem (CID 90934428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).