[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine

C13H10F2N2O3 — CID 106531346

IUPAC[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
SMILESNCc1cc(F)cc(Oc2c(F)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10F2N2O3/c14-9-4-8(7-16)5-10(6-9)20-13-11(15)2-1-3-12(13)17(18)19/h1-6H,7,16H2
InChIKeyRNZJBOLQZCVTCX-UHFFFAOYSA-N
MW280.23 g/mol
LogP3.12
Rot. Bonds4

About [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine

[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine (PubChem CID 106531346) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
PubChem CID106531346
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC Name[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
SMILESNCc1cc(F)cc(Oc2c(F)cccc2[N+](=O)[O-])c1
InChIInChI=1S/C13H10F2N2O3/c14-9-4-8(7-16)5-10(6-9)20-13-11(15)2-1-3-12(13)17(18)19/h1-6H,7,16H2
InChIKeyRNZJBOLQZCVTCX-UHFFFAOYSA-N
XLogP3.12
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[3-fluoro-5-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 106531299
1-[4-(2-fluoro-6-nitrophenoxy)phenyl]ethanol
CID 104831899
[3,5-difluoro-4-[(2-nitrophenyl)methoxy]phenyl]methanamine
CID 79880994
[2-(2-fluoro-6-nitrophenoxy)phenyl]methanol
CID 104831942
[4-(4-bromo-2-nitrophenoxy)-3,5-difluorophenyl]methanamine
CID 65429448
5-(bromomethyl)-2-(2-fluoro-6-nitrophenoxy)pyrimidine
CID 107089177
1-[5-(2-fluoro-6-nitrophenoxy)-2-pyridinyl]ethanamine
CID 104831856
[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine
CID 106485742
2-[3-[3-(aminomethyl)-5-fluorophenoxy]phenyl]acetic acid
CID 140512656
(3-fluoro-4-methoxy-5-nitrophenyl)methanamine
CID 82506050
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
6-bromo-2-(2-fluoro-6-nitrophenoxy)pyrimidin-4-amine
CID 116798026

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine (CID 106531346) is [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine is NCc1cc(F)cc(Oc2c(F)cccc2[N+](=O)[O-])c1.
What is the InChIKey of [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine?
The InChIKey is RNZJBOLQZCVTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c14-9-4-8(7-16)5-10(6-9)20-13-11(15)2-1-3-12(13)17(18)19/h1-6H,7,16H2.
What are the key properties of [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine?
[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine has a molecular weight of 280.23 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 106531346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).