3-(3-fluorophenyl)-4-propan-2-ylmorpholine

C13H18FNO — CID 58334540

IUPAC3-(3-fluorophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-10(2)15-6-7-16-9-13(15)11-4-3-5-12(14)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyJRSHLSGRHGZKHK-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.61
Rot. Bonds2

About 3-(3-fluorophenyl)-4-propan-2-ylmorpholine

3-(3-fluorophenyl)-4-propan-2-ylmorpholine (PubChem CID 58334540) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-4-propan-2-ylmorpholine
PubChem CID58334540
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name3-(3-fluorophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1c1cccc(F)c1
InChIInChI=1S/C13H18FNO/c1-10(2)15-6-7-16-9-13(15)11-4-3-5-12(14)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3
InChIKeyJRSHLSGRHGZKHK-UHFFFAOYSA-N
XLogP2.61
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-4-propan-2-ylmorpholine?
The IUPAC name of 3-(3-fluorophenyl)-4-propan-2-ylmorpholine (CID 58334540) is 3-(3-fluorophenyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 3-(3-fluorophenyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 3-(3-fluorophenyl)-4-propan-2-ylmorpholine is CC(C)N1CCOCC1c1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-4-propan-2-ylmorpholine?
The InChIKey is JRSHLSGRHGZKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10(2)15-6-7-16-9-13(15)11-4-3-5-12(14)8-11/h3-5,8,10,13H,6-7,9H2,1-2H3.
What are the key properties of 3-(3-fluorophenyl)-4-propan-2-ylmorpholine?
3-(3-fluorophenyl)-4-propan-2-ylmorpholine has a molecular weight of 223.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 58334540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).