2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine

C16H14BrFN2O3 — CID 47983349

IUPAC2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrFN2O3/c17-12-6-4-11(5-7-12)15-10-19(8-9-23-15)14-3-1-2-13(18)16(14)20(21)22/h1-7,15H,8-10H2
InChIKeyKHKFJEQAHNLJTE-UHFFFAOYSA-N
MW381.20 g/mol
LogP4.07
Rot. Bonds3

About 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine

2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine (PubChem CID 47983349) has the molecular formula C16H14BrFN2O3 and a molecular weight of 381.20 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
PubChem CID47983349
Molecular FormulaC16H14BrFN2O3
Molecular Weight381.20 g/mol
Exact Mass380.02
IUPAC Name2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1c(F)cccc1N1CCOC(c2ccc(Br)cc2)C1
InChIInChI=1S/C16H14BrFN2O3/c17-12-6-4-11(5-7-12)15-10-19(8-9-23-15)14-3-1-2-13(18)16(14)20(21)22/h1-7,15H,8-10H2
InChIKeyKHKFJEQAHNLJTE-UHFFFAOYSA-N
XLogP4.07
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.20
LogP ≤ 54.07
H-Bond Donors ≤ 50
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

2-(4-bromophenyl)-4-(2-nitrophenyl)morpholine
CID 47983309
4-(3-fluoro-2-nitrophenyl)-2-methylmorpholine
CID 61396882
4-(3-fluoro-2-nitrophenyl)morpholine
CID 53255500
2-(3,4-dichlorophenyl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133432590
4-(3-fluoro-2-nitrophenyl)-2-methyl-1,4-oxazepane
CID 55141737
2-(4-bromophenyl)-4-[2-(difluoromethylsulfonyl)phenyl]morpholine
CID 56557020
4-[1-(3-fluoro-2-nitrophenyl)pyrrolidin-3-yl]morpholine
CID 63171297
3-[(2S)-2-(4-bromophenyl)morpholin-4-yl]-4-cyanobenzenesulfonamide
CID 100675315
(3R)-1-(3-fluoro-2-nitrophenyl)-3-methylpiperazine
CID 104976022
1-[2-[(2S)-2-(3,4-difluorophenyl)morpholin-4-yl]-6-fluorophenyl]ethanone
CID 95175510
2-(furan-2-yl)-4-(3-methylsulfonyl-2-nitrophenyl)morpholine
CID 133414362
[2-(4-bromophenyl)morpholin-4-yl]-(3,5-dinitrophenyl)methanone
CID 60587125

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine?
The IUPAC name of 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine (CID 47983349) is 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine?
The canonical SMILES for 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine is O=[N+]([O-])c1c(F)cccc1N1CCOC(c2ccc(Br)cc2)C1.
What is the InChIKey of 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine?
The InChIKey is KHKFJEQAHNLJTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrFN2O3/c17-12-6-4-11(5-7-12)15-10-19(8-9-23-15)14-3-1-2-13(18)16(14)20(21)22/h1-7,15H,8-10H2.
What are the key properties of 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine?
2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine has a molecular weight of 381.20 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(3-fluoro-2-nitrophenyl)morpholine is sourced from PubChem (CID 47983349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).