4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile

C14H10F2N2O — CID 106485841

IUPAC4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Oc2cccc(CN)c2)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-12-5-10(8-18)6-13(16)14(12)19-11-3-1-2-9(4-11)7-17/h1-6H,7,17H2
InChIKeyZJXHEDQHMTYMSN-UHFFFAOYSA-N
MW260.24 g/mol
LogP3.09
Rot. Bonds3

About 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile

4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile (PubChem CID 106485841) has the molecular formula C14H10F2N2O and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile.

Molecular Properties

Compound Name4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
PubChem CID106485841
Molecular FormulaC14H10F2N2O
Molecular Weight260.24 g/mol
Exact Mass260.08
IUPAC Name4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile
SMILESN#Cc1cc(F)c(Oc2cccc(CN)c2)c(F)c1
InChIInChI=1S/C14H10F2N2O/c15-12-5-10(8-18)6-13(16)14(12)19-11-3-1-2-9(4-11)7-17/h1-6H,7,17H2
InChIKeyZJXHEDQHMTYMSN-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-naphthalen-2-yloxybenzonitrile
CID 81287439
[3-(3-fluorophenoxy)phenyl]methanamine hydroxide
CID 86649819
4-(3,5-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283851
3,5-difluoro-4-[4-(2-hydroxyethyl)phenoxy]benzonitrile
CID 107708789
3,5-difluoro-4-phenylmethoxybenzonitrile
CID 57445722
4-(2,3-difluorophenoxy)-3,5-difluorobenzonitrile
CID 81283926
[3-(3-ethynylphenoxy)phenyl]methanamine chloride
CID 158188538
3-(5-amino-7-fluoroquinolin-8-yl)oxybenzonitrile
CID 83165691
3-(3-ethylphenoxy)benzonitrile
CID 66843456
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
2-[4-(3-bromophenoxy)-3,5-difluorophenyl]ethanamine
CID 63802444
3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile?
The IUPAC name of 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile (CID 106485841) is 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile.
What is the SMILES notation for 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile?
The canonical SMILES for 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile is N#Cc1cc(F)c(Oc2cccc(CN)c2)c(F)c1.
What is the InChIKey of 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile?
The InChIKey is ZJXHEDQHMTYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2O/c15-12-5-10(8-18)6-13(16)14(12)19-11-3-1-2-9(4-11)7-17/h1-6H,7,17H2.
What are the key properties of 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile?
4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile has a molecular weight of 260.24 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)phenoxy]-3,5-difluorobenzonitrile is sourced from PubChem (CID 106485841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).