4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine

C11H12F2N2O3 — CID 15692407

IUPAC4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine
SMILESCc1c(F)c([N+](=O)[O-])cc(F)c1N1CCOCC1
InChIInChI=1S/C11H12F2N2O3/c1-7-10(13)9(15(16)17)6-8(12)11(7)14-2-4-18-5-3-14/h6H,2-5H2,1H3
InChIKeyACQZZWXJIMLDIE-UHFFFAOYSA-N
MW258.22 g/mol
LogP2.02
Rot. Bonds2

About 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine

4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine (PubChem CID 15692407) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine
PubChem CID15692407
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine
SMILESCc1c(F)c([N+](=O)[O-])cc(F)c1N1CCOCC1
InChIInChI=1S/C11H12F2N2O3/c1-7-10(13)9(15(16)17)6-8(12)11(7)14-2-4-18-5-3-14/h6H,2-5H2,1H3
InChIKeyACQZZWXJIMLDIE-UHFFFAOYSA-N
XLogP2.02
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 52.02
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine?
The IUPAC name of 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine (CID 15692407) is 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine.
What is the SMILES notation for 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine?
The canonical SMILES for 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine is Cc1c(F)c([N+](=O)[O-])cc(F)c1N1CCOCC1.
What is the InChIKey of 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine?
The InChIKey is ACQZZWXJIMLDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c1-7-10(13)9(15(16)17)6-8(12)11(7)14-2-4-18-5-3-14/h6H,2-5H2,1H3.
What are the key properties of 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine?
4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine has a molecular weight of 258.22 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-difluoro-2-methyl-4-nitrophenyl)morpholine is sourced from PubChem (CID 15692407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).