2-(4-amino-2,5-difluorophenoxy)acetonitrile

C8H6F2N2O — CID 63600040

IUPAC2-(4-amino-2,5-difluorophenoxy)acetonitrile
SMILESN#CCOc1cc(F)c(N)cc1F
InChIInChI=1S/C8H6F2N2O/c9-5-4-8(13-2-1-11)6(10)3-7(5)12/h3-4H,2,12H2
InChIKeyLPRAKYUCICZVSP-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.45
Rot. Bonds2

About 2-(4-amino-2,5-difluorophenoxy)acetonitrile

2-(4-amino-2,5-difluorophenoxy)acetonitrile (PubChem CID 63600040) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)acetonitrile.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)acetonitrile
PubChem CID63600040
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(4-amino-2,5-difluorophenoxy)acetonitrile
SMILESN#CCOc1cc(F)c(N)cc1F
InChIInChI=1S/C8H6F2N2O/c9-5-4-8(13-2-1-11)6(10)3-7(5)12/h3-4H,2,12H2
InChIKeyLPRAKYUCICZVSP-UHFFFAOYSA-N
XLogP1.45
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-2,5-difluorophenoxy)acetonitrile
CID 91658316
4-[(4-amino-2,5-difluorophenoxy)methyl]-3-fluorobenzonitrile
CID 63597416
2-[4-(aminomethyl)-2-fluorophenoxy]acetonitrile
CID 107686306
2-(4-bromo-2-fluorophenoxy)acetonitrile
CID 43084322
4-(4-amino-2,5-difluorophenoxy)butan-1-ol
CID 63599718
5-(4-amino-2,5-difluorophenoxy)pentan-1-ol
CID 63597424
2,5-difluoro-4-methoxyaniline
CID 45090681
3-(4-amino-2,5-difluorophenoxy)propanoic acid
CID 63947858
2,5-difluoro-4-(3-phenoxypropoxy)aniline
CID 63599001
2,5-difluoro-4-(pyridin-4-ylmethoxy)aniline
CID 63598643
2-(2-fluoro-4-nitrophenoxy)acetonitrile
CID 60772665
4-(2-tert-butylsulfanylethoxy)-2,5-difluoroaniline
CID 114271242

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)acetonitrile?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)acetonitrile (CID 63600040) is 2-(4-amino-2,5-difluorophenoxy)acetonitrile.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)acetonitrile?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)acetonitrile is N#CCOc1cc(F)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)acetonitrile?
The InChIKey is LPRAKYUCICZVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c9-5-4-8(13-2-1-11)6(10)3-7(5)12/h3-4H,2,12H2.
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)acetonitrile?
2-(4-amino-2,5-difluorophenoxy)acetonitrile has a molecular weight of 184.15 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)acetonitrile is sourced from PubChem (CID 63600040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).