[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine

C13H10F2N2O3 — CID 106485742

IUPAC[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cc(F)cc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10F2N2O3/c14-9-5-11(15)13(17(18)19)12(6-9)20-10-3-1-8(7-16)2-4-10/h1-6H,7,16H2
InChIKeyALEZOGNUMIUUGY-UHFFFAOYSA-N
MW280.23 g/mol
LogP3.12
Rot. Bonds4

About [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine

[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine (PubChem CID 106485742) has the molecular formula C13H10F2N2O3 and a molecular weight of 280.23 g/mol. Its IUPAC name is [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine.

Molecular Properties

Compound Name[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine
PubChem CID106485742
Molecular FormulaC13H10F2N2O3
Molecular Weight280.23 g/mol
Exact Mass280.07
IUPAC Name[4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine
SMILESNCc1ccc(Oc2cc(F)cc(F)c2[N+](=O)[O-])cc1
InChIInChI=1S/C13H10F2N2O3/c14-9-5-11(15)13(17(18)19)12(6-9)20-10-3-1-8(7-16)2-4-10/h1-6H,7,16H2
InChIKeyALEZOGNUMIUUGY-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

1-(4-bromophenoxy)-3,5-difluoro-2-nitrobenzene
CID 113325465
3-(3,5-difluoro-2-nitrophenoxy)aniline
CID 115509825
[4-(3-ethoxy-2-nitrophenoxy)phenyl]methanamine
CID 106485640
[4-(2-methoxy-4-nitrophenoxy)phenyl]methanamine
CID 62110461
1-fluoro-3-(4-methoxyphenoxy)-2-nitrobenzene
CID 62663819
1,5-difluoro-2-nitro-3-phenylmethoxybenzene;2,4-difluoro-6-phenylmethoxyaniline
CID 160758760
[3-fluoro-5-(4-fluoro-2-nitrophenoxy)phenyl]methanamine
CID 106531299
1-(3-bromo-5-fluorophenoxy)-3-fluoro-2-nitrobenzene
CID 81331353
4-[4-(aminomethyl)phenoxy]-3-nitropyridin-2-amine;4-chloro-3-nitropyridin-2-amine
CID 162140600
[4-(4-fluorophenoxy)phenyl]methanamine;hydrochloride
CID 10308088
[3-fluoro-5-(2-fluoro-6-nitrophenoxy)phenyl]methanamine
CID 106531346
2,4-difluoro-1-(4-nitrophenoxy)benzene
CID 3015409

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine?
The IUPAC name of [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine (CID 106485742) is [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine.
What is the SMILES notation for [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine?
The canonical SMILES for [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine is NCc1ccc(Oc2cc(F)cc(F)c2[N+](=O)[O-])cc1.
What is the InChIKey of [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine?
The InChIKey is ALEZOGNUMIUUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O3/c14-9-5-11(15)13(17(18)19)12(6-9)20-10-3-1-8(7-16)2-4-10/h1-6H,7,16H2.
What are the key properties of [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine?
[4-(3,5-difluoro-2-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 [4-(3,5-difluoro-2-nitrophenoxy)phenyl]methanamine is sourced from PubChem (CID 106485742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).