(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one

C14H17ClFNO2 — CID 66767489

IUPAC(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one
SMILESCC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H17ClFNO2/c1-10(18)12(9-17-4-6-19-7-5-17)11-2-3-13(15)14(16)8-11/h2-3,8,12H,4-7,9H2,1H3/t12-/m1/s1
InChIKeyFMOJDVUCVJKLNL-GFCCVEGCSA-N
MW285.75 g/mol
LogP2.48
Rot. Bonds4

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

(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one (PubChem CID 66767489) has the molecular formula C14H17ClFNO2 and a molecular weight of 285.75 g/mol. Its IUPAC name is (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one.

Molecular Properties

Compound Name(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one
PubChem CID66767489
Molecular FormulaC14H17ClFNO2
Molecular Weight285.75 g/mol
Exact Mass285.09
IUPAC Name(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one
SMILESCC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1
InChIInChI=1S/C14H17ClFNO2/c1-10(18)12(9-17-4-6-19-7-5-17)11-2-3-13(15)14(16)8-11/h2-3,8,12H,4-7,9H2,1H3/t12-/m1/s1
InChIKeyFMOJDVUCVJKLNL-GFCCVEGCSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.75
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one?
The IUPAC name of (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one (CID 66767489) is (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one.
What is the SMILES notation for (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one?
The canonical SMILES for (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one is CC(=O)[C@@H](CN1CCOCC1)c1ccc(Cl)c(F)c1.
What is the InChIKey of (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one?
The InChIKey is FMOJDVUCVJKLNL-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17ClFNO2/c1-10(18)12(9-17-4-6-19-7-5-17)11-2-3-13(15)14(16)8-11/h2-3,8,12H,4-7,9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one?
(3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one has a molecular weight of 285.75 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chloro-3-fluorophenyl)-4-morpholin-4-ylbutan-2-one is sourced from PubChem (CID 66767489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).