4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile

C13H7F3N2O — CID 107670079

IUPAC4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2c(F)cc(N)cc2F)c(F)c1
InChIInChI=1S/C13H7F3N2O/c14-9-3-7(6-17)1-2-12(9)19-13-10(15)4-8(18)5-11(13)16/h1-5H,18H2
InChIKeyAKBGRDAYRPQUMF-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.35
Rot. Bonds2

About 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile

4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile (PubChem CID 107670079) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile.

Molecular Properties

Compound Name4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
PubChem CID107670079
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
SMILESN#Cc1ccc(Oc2c(F)cc(N)cc2F)c(F)c1
InChIInChI=1S/C13H7F3N2O/c14-9-3-7(6-17)1-2-12(9)19-13-10(15)4-8(18)5-11(13)16/h1-5H,18H2
InChIKeyAKBGRDAYRPQUMF-UHFFFAOYSA-N
XLogP3.35
TPSA59.04 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.35
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

4-(3,4-diaminophenoxy)-3-fluorobenzonitrile
CID 107670075
4-(5-amino-2-bromophenoxy)-3,5-difluorobenzonitrile
CID 103011501
4-(2-amino-5-bromo-4-fluorophenoxy)-3-fluorobenzonitrile
CID 107670129
4-(4-aminonaphthalen-1-yl)oxy-3-fluorobenzonitrile
CID 63691863
4-(2-chloro-4-cyanophenoxy)-3-fluorobenzonitrile
CID 107664801
4-(2-amino-5-fluorophenoxy)-3,5-difluorobenzonitrile
CID 81294672
4-[(5-amino-3-chloro-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 114046415
4-(2-amino-3-methylphenoxy)-3-fluorobenzonitrile
CID 43657243
3-amino-4-(4-bromo-2-fluorophenoxy)benzonitrile
CID 43518305
4-(2-amino-4-nitrophenoxy)-3-fluorobenzonitrile
CID 107670147
4-(3-aminoquinoxalin-2-yl)oxy-3-fluorobenzonitrile
CID 107669541
3-fluoro-4-(2-methoxyphenoxy)benzonitrile
CID 43657455

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile?
The IUPAC name of 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile (CID 107670079) is 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile.
What is the SMILES notation for 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile?
The canonical SMILES for 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile is N#Cc1ccc(Oc2c(F)cc(N)cc2F)c(F)c1.
What is the InChIKey of 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile?
The InChIKey is AKBGRDAYRPQUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-9-3-7(6-17)1-2-12(9)19-13-10(15)4-8(18)5-11(13)16/h1-5H,18H2.
What are the key properties of 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile?
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile is sourced from PubChem (CID 107670079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).