4-fluoro-N-(3-nitrophenyl)morpholin-2-amine

C10H12FN3O3 — CID 174677143

IUPAC4-fluoro-N-(3-nitrophenyl)morpholin-2-amine
SMILESO=[N+]([O-])c1cccc(NC2CN(F)CCO2)c1
InChIInChI=1S/C10H12FN3O3/c11-13-4-5-17-10(7-13)12-8-2-1-3-9(6-8)14(15)16/h1-3,6,10,12H,4-5,7H2
InChIKeyQVXGOVAFCFJGGP-UHFFFAOYSA-N
MW241.22 g/mol
LogP1.55
Rot. Bonds3

About 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine

4-fluoro-N-(3-nitrophenyl)morpholin-2-amine (PubChem CID 174677143) has the molecular formula C10H12FN3O3 and a molecular weight of 241.22 g/mol. Its IUPAC name is 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine.

Molecular Properties

Compound Name4-fluoro-N-(3-nitrophenyl)morpholin-2-amine
PubChem CID174677143
Molecular FormulaC10H12FN3O3
Molecular Weight241.22 g/mol
Exact Mass241.09
IUPAC Name4-fluoro-N-(3-nitrophenyl)morpholin-2-amine
SMILESO=[N+]([O-])c1cccc(NC2CN(F)CCO2)c1
InChIInChI=1S/C10H12FN3O3/c11-13-4-5-17-10(7-13)12-8-2-1-3-9(6-8)14(15)16/h1-3,6,10,12H,4-5,7H2
InChIKeyQVXGOVAFCFJGGP-UHFFFAOYSA-N
XLogP1.55
TPSA67.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(hydroxymethyl)-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 79831809
(2S,3R,4S,5R)-2-(3-nitroanilino)oxane-3,4,5-triol
CID 1361039
(2R,3S,4S,5S)-2-(3-nitroanilino)oxane-3,4,5-triol
CID 124797923
2-cyano-N-(3-nitrophenyl)morpholine-4-carboxamide
CID 78946196
(2S)-N-(3-nitrophenyl)-2-phenylmorpholine-4-carboxamide
CID 32840083
3-nitro-N-(3,3,5,5-tetramethylcyclohexyl)aniline
CID 115998744
2-[4-(3-nitroanilino)-3-oxomorpholin-2-yl]acetic acid
CID 11808555
N-[3-(4-bromophenyl)cyclobutyl]-3-nitroaniline
CID 43718064
N-[3-(4-chlorophenyl)cyclobutyl]-3-nitroaniline
CID 43718063
CID 58015538
CID 58015538
3-methyl-4-(3-nitroanilino)oxolane-3-carboxylic acid
CID 66248149
3-nitro-N-(2-piperidin-1-ylethyl)aniline
CID 54967768

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine?
The IUPAC name of 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine (CID 174677143) is 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine.
What is the SMILES notation for 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine?
The canonical SMILES for 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine is O=[N+]([O-])c1cccc(NC2CN(F)CCO2)c1.
What is the InChIKey of 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine?
The InChIKey is QVXGOVAFCFJGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O3/c11-13-4-5-17-10(7-13)12-8-2-1-3-9(6-8)14(15)16/h1-3,6,10,12H,4-5,7H2.
What are the key properties of 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine?
4-fluoro-N-(3-nitrophenyl)morpholin-2-amine has a molecular weight of 241.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-nitrophenyl)morpholin-2-amine is sourced from PubChem (CID 174677143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).