3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile

C14H10F2N2O — CID 105402147

IUPAC3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(F)cc(F)c2)c(N)c1
InChIInChI=1S/C14H10F2N2O/c15-11-3-10(4-12(16)6-11)8-19-14-2-1-9(7-17)5-13(14)18/h1-6H,8,18H2
InChIKeySZDRGGKBASRDDR-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.00
Rot. Bonds3

About 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile

3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile (PubChem CID 105402147) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile.

Molecular Properties

Compound Name3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile
PubChem CID105402147
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile
SMILESN#Cc1ccc(OCc2cc(F)cc(F)c2)c(N)c1
InChIInChI=1S/C14H10F2N2O/c15-11-3-10(4-12(16)6-11)8-19-14-2-1-9(7-17)5-13(14)18/h1-6H,8,18H2
InChIKeySZDRGGKBASRDDR-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
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

3-amino-4-(1,2-oxazol-4-ylmethoxy)benzonitrile
CID 61388584
3-fluoro-4-[(3-fluoro-5-nitrophenyl)methoxy]benzonitrile
CID 107670429
3-amino-4-(4,4,4-trifluorobutoxy)benzonitrile
CID 113326203
3-amino-4-[(2,5-dichlorophenyl)methoxy]benzonitrile
CID 65318301
2-[2-[(2-amino-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 115460512
3-amino-4-[2-(dimethylamino)ethoxy]benzonitrile
CID 61103813
4-[[3-tert-butyl-5-[(4-cyano-2-fluorophenoxy)methyl]phenyl]methoxy]-3-fluorobenzonitrile
CID 156508177
3-amino-4-[2-(3,5-difluorophenyl)ethylamino]benzonitrile
CID 62605345
3-[(3-fluorophenyl)methoxy]-4-methylbenzonitrile
CID 103760064
3-chloro-4-[(3,5-difluorophenyl)methoxy]aniline
CID 86037311
4-[[4-(aminomethyl)-2-fluorophenoxy]methyl]benzonitrile
CID 107686277
3-[(2-amino-4,5-dichlorophenoxy)methyl]-4-fluorobenzonitrile
CID 107498575

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
The IUPAC name of 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile (CID 105402147) is 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile.
What is the SMILES notation for 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
The canonical SMILES for 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile is N#Cc1ccc(OCc2cc(F)cc(F)c2)c(N)c1.
What is the InChIKey of 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
The InChIKey is SZDRGGKBASRDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-11-3-10(4-12(16)6-11)8-19-14-2-1-9(7-17)5-13(14)18/h1-6H,8,18H2.
What are the key properties of 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile?
3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(3,5-difluorophenyl)methoxy]benzonitrile is sourced from PubChem (CID 105402147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).