2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile

C14H10F2N2O — CID 62533029

IUPAC2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(Oc2c(N)ccc(F)c2F)cc1
InChIInChI=1S/C14H10F2N2O/c15-11-5-6-12(18)14(13(11)16)19-10-3-1-9(2-4-10)7-8-17/h1-6H,7,18H2
InChIKeySUOJXWXUINHIKL-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.41
Rot. Bonds3

About 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile

2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile (PubChem CID 62533029) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
PubChem CID62533029
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile
SMILESN#CCc1ccc(Oc2c(N)ccc(F)c2F)cc1
InChIInChI=1S/C14H10F2N2O/c15-11-5-6-12(18)14(13(11)16)19-10-3-1-9(2-4-10)7-8-17/h1-6H,7,18H2
InChIKeySUOJXWXUINHIKL-UHFFFAOYSA-N
XLogP3.41
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile?
The IUPAC name of 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile (CID 62533029) is 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile is N#CCc1ccc(Oc2c(N)ccc(F)c2F)cc1.
What is the InChIKey of 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile?
The InChIKey is SUOJXWXUINHIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-11-5-6-12(18)14(13(11)16)19-10-3-1-9(2-4-10)7-8-17/h1-6H,7,18H2.
What are the key properties of 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile?
2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-amino-2,3-difluorophenoxy)phenyl]acetonitrile is sourced from PubChem (CID 62533029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).