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

C15H19ClFNO2 — CID 148691451

IUPAC(2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one
SMILESCCC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFNO2/c1-2-15(19)12(10-18-5-7-20-8-6-18)11-3-4-13(16)14(17)9-11/h3-4,9,12H,2,5-8,10H2,1H3/t12-/m0/s1
InChIKeyNTODHELFTFWEBV-LBPRGKRZSA-N
MW299.77 g/mol
LogP2.87
Rot. Bonds5

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

(2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one (PubChem CID 148691451) has the molecular formula C15H19ClFNO2 and a molecular weight of 299.77 g/mol. Its IUPAC name is (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one.

Molecular Properties

Compound Name(2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one
PubChem CID148691451
Molecular FormulaC15H19ClFNO2
Molecular Weight299.77 g/mol
Exact Mass299.11
IUPAC Name(2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one
SMILESCCC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H19ClFNO2/c1-2-15(19)12(10-18-5-7-20-8-6-18)11-3-4-13(16)14(17)9-11/h3-4,9,12H,2,5-8,10H2,1H3/t12-/m0/s1
InChIKeyNTODHELFTFWEBV-LBPRGKRZSA-N
XLogP2.87
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one?
The IUPAC name of (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one (CID 148691451) is (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one.
What is the SMILES notation for (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one?
The canonical SMILES for (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one is CCC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one?
The InChIKey is NTODHELFTFWEBV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19ClFNO2/c1-2-15(19)12(10-18-5-7-20-8-6-18)11-3-4-13(16)14(17)9-11/h3-4,9,12H,2,5-8,10H2,1H3/t12-/m0/s1.
What are the key properties of (2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one?
(2R)-2-(4-chloro-3-fluorophenyl)-1-morpholin-4-ylpentan-3-one has a molecular weight of 299.77 g/mol, XLogP of 2.87, 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)-1-morpholin-4-ylpentan-3-one is sourced from PubChem (CID 148691451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).