N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline

C14H20FN3O3 — CID 2899920

IUPACN,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline
SMILESCCN(CC)c1cc(N2CCOCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H20FN3O3/c1-3-16(4-2)12-10-13(17-5-7-21-8-6-17)14(18(19)20)9-11(12)15/h9-10H,3-8H2,1-2H3
InChIKeyFLVBYBFNJSRJDU-UHFFFAOYSA-N
MW297.33 g/mol
LogP2.42
Rot. Bonds5

About N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline

N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline (PubChem CID 2899920) has the molecular formula C14H20FN3O3 and a molecular weight of 297.33 g/mol. Its IUPAC name is N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline.

Molecular Properties

Compound NameN,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline
PubChem CID2899920
Molecular FormulaC14H20FN3O3
Molecular Weight297.33 g/mol
Exact Mass297.15
IUPAC NameN,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline
SMILESCCN(CC)c1cc(N2CCOCC2)c([N+](=O)[O-])cc1F
InChIInChI=1S/C14H20FN3O3/c1-3-16(4-2)12-10-13(17-5-7-21-8-6-17)14(18(19)20)9-11(12)15/h9-10H,3-8H2,1-2H3
InChIKeyFLVBYBFNJSRJDU-UHFFFAOYSA-N
XLogP2.42
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline?
The IUPAC name of N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline (CID 2899920) is N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline.
What is the SMILES notation for N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline?
The canonical SMILES for N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline is CCN(CC)c1cc(N2CCOCC2)c([N+](=O)[O-])cc1F.
What is the InChIKey of N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline?
The InChIKey is FLVBYBFNJSRJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FN3O3/c1-3-16(4-2)12-10-13(17-5-7-21-8-6-17)14(18(19)20)9-11(12)15/h9-10H,3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline?
N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline has a molecular weight of 297.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-fluoro-5-morpholin-4-yl-4-nitroaniline is sourced from PubChem (CID 2899920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).