(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one

C16H21ClFNO2 — CID 59671018

IUPAC(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one
SMILESCC(C)C(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H21ClFNO2/c1-11(2)16(20)13(10-19-5-7-21-8-6-19)12-3-4-14(17)15(18)9-12/h3-4,9,11,13H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyIZBUILMLRAQRET-ZDUSSCGKSA-N
MW313.80 g/mol
LogP3.12
Rot. Bonds5

About (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one

(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one (PubChem CID 59671018) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one
PubChem CID59671018
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one
SMILESCC(C)C(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C16H21ClFNO2/c1-11(2)16(20)13(10-19-5-7-21-8-6-19)12-3-4-14(17)15(18)9-12/h3-4,9,11,13H,5-8,10H2,1-2H3/t13-/m0/s1
InChIKeyIZBUILMLRAQRET-ZDUSSCGKSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one?
The IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one (CID 59671018) is (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one.
What is the SMILES notation for (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one?
The canonical SMILES for (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one is CC(C)C(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one?
The InChIKey is IZBUILMLRAQRET-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c1-11(2)16(20)13(10-19-5-7-21-8-6-19)12-3-4-14(17)15(18)9-12/h3-4,9,11,13H,5-8,10H2,1-2H3/t13-/m0/s1.
What are the key properties of (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one?
(2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one has a molecular weight of 313.80 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chloro-3-fluorophenyl)-4-methyl-1-morpholin-4-ylpentan-3-one is sourced from PubChem (CID 59671018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).