2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine

C15H21F2NO — CID 106288333

IUPAC2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine
SMILESCCC(CC)C1CNCC(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C15H21F2NO/c1-3-10(4-2)14-8-18-9-15(19-14)11-5-6-12(16)13(17)7-11/h5-7,10,14-15,18H,3-4,8-9H2,1-2H3
InChIKeyPPQWCQGPPLKOFC-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.43
Rot. Bonds4

About 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine

2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine (PubChem CID 106288333) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine
PubChem CID106288333
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine
SMILESCCC(CC)C1CNCC(c2ccc(F)c(F)c2)O1
InChIInChI=1S/C15H21F2NO/c1-3-10(4-2)14-8-18-9-15(19-14)11-5-6-12(16)13(17)7-11/h5-7,10,14-15,18H,3-4,8-9H2,1-2H3
InChIKeyPPQWCQGPPLKOFC-UHFFFAOYSA-N
XLogP3.43
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine 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 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine?
The IUPAC name of 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine (CID 106288333) is 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine.
What is the SMILES notation for 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine?
The canonical SMILES for 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine is CCC(CC)C1CNCC(c2ccc(F)c(F)c2)O1.
What is the InChIKey of 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine?
The InChIKey is PPQWCQGPPLKOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-3-10(4-2)14-8-18-9-15(19-14)11-5-6-12(16)13(17)7-11/h5-7,10,14-15,18H,3-4,8-9H2,1-2H3.
What are the key properties of 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine?
2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine has a molecular weight of 269.33 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-6-pentan-3-ylmorpholine is sourced from PubChem (CID 106288333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).