4-chloro-3-fluoro-2-morpholin-4-ylaniline

C10H12ClFN2O — CID 99802274

IUPAC4-chloro-3-fluoro-2-morpholin-4-ylaniline
SMILESNc1ccc(Cl)c(F)c1N1CCOCC1
InChIInChI=1S/C10H12ClFN2O/c11-7-1-2-8(13)10(9(7)12)14-3-5-15-6-4-14/h1-2H,3-6,13H2
InChIKeyHJLPTQSIBBWPSN-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.90
Rot. Bonds1

About 4-chloro-3-fluoro-2-morpholin-4-ylaniline

4-chloro-3-fluoro-2-morpholin-4-ylaniline (PubChem CID 99802274) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 4-chloro-3-fluoro-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name4-chloro-3-fluoro-2-morpholin-4-ylaniline
PubChem CID99802274
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name4-chloro-3-fluoro-2-morpholin-4-ylaniline
SMILESNc1ccc(Cl)c(F)c1N1CCOCC1
InChIInChI=1S/C10H12ClFN2O/c11-7-1-2-8(13)10(9(7)12)14-3-5-15-6-4-14/h1-2H,3-6,13H2
InChIKeyHJLPTQSIBBWPSN-UHFFFAOYSA-N
XLogP1.90
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-fluoro-2-morpholin-4-ylaniline?
The IUPAC name of 4-chloro-3-fluoro-2-morpholin-4-ylaniline (CID 99802274) is 4-chloro-3-fluoro-2-morpholin-4-ylaniline.
What is the SMILES notation for 4-chloro-3-fluoro-2-morpholin-4-ylaniline?
The canonical SMILES for 4-chloro-3-fluoro-2-morpholin-4-ylaniline is Nc1ccc(Cl)c(F)c1N1CCOCC1.
What is the InChIKey of 4-chloro-3-fluoro-2-morpholin-4-ylaniline?
The InChIKey is HJLPTQSIBBWPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-7-1-2-8(13)10(9(7)12)14-3-5-15-6-4-14/h1-2H,3-6,13H2.
What are the key properties of 4-chloro-3-fluoro-2-morpholin-4-ylaniline?
4-chloro-3-fluoro-2-morpholin-4-ylaniline has a molecular weight of 230.67 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-fluoro-2-morpholin-4-ylaniline is sourced from PubChem (CID 99802274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).