3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine

C13H22FN3O — CID 114533144

IUPAC3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine
SMILESCn1ccnc1CCC(C)(F)CC1COCCN1
InChIInChI=1S/C13H22FN3O/c1-13(14,9-11-10-18-8-6-15-11)4-3-12-16-5-7-17(12)2/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKeyXDSJUUUEMMAXTN-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.46
Rot. Bonds5

About 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine

3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine (PubChem CID 114533144) has the molecular formula C13H22FN3O and a molecular weight of 255.34 g/mol. Its IUPAC name is 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine.

Molecular Properties

Compound Name3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine
PubChem CID114533144
Molecular FormulaC13H22FN3O
Molecular Weight255.34 g/mol
Exact Mass255.17
IUPAC Name3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine
SMILESCn1ccnc1CCC(C)(F)CC1COCCN1
InChIInChI=1S/C13H22FN3O/c1-13(14,9-11-10-18-8-6-15-11)4-3-12-16-5-7-17(12)2/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKeyXDSJUUUEMMAXTN-UHFFFAOYSA-N
XLogP1.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine?
The IUPAC name of 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine (CID 114533144) is 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine.
What is the SMILES notation for 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine?
The canonical SMILES for 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine is Cn1ccnc1CCC(C)(F)CC1COCCN1.
What is the InChIKey of 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine?
The InChIKey is XDSJUUUEMMAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3O/c1-13(14,9-11-10-18-8-6-15-11)4-3-12-16-5-7-17(12)2/h5,7,11,15H,3-4,6,8-10H2,1-2H3.
What are the key properties of 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine?
3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine has a molecular weight of 255.34 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-2-methyl-4-(1-methylimidazol-2-yl)butyl]morpholine is sourced from PubChem (CID 114533144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).