4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine

C10H15F2N3O — CID 75420681

IUPAC4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESFC(F)CN1CCOC(Cn2cccn2)C1
InChIInChI=1S/C10H15F2N3O/c11-10(12)8-14-4-5-16-9(6-14)7-15-3-1-2-13-15/h1-3,9-10H,4-8H2
InChIKeyFZUFXBPOTWLBGL-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.85
Rot. Bonds4

About 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine

4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 75420681) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID75420681
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESFC(F)CN1CCOC(Cn2cccn2)C1
InChIInChI=1S/C10H15F2N3O/c11-10(12)8-14-4-5-16-9(6-14)7-15-3-1-2-13-15/h1-3,9-10H,4-8H2
InChIKeyFZUFXBPOTWLBGL-UHFFFAOYSA-N
XLogP0.85
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine (CID 75420681) is 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine is FC(F)CN1CCOC(Cn2cccn2)C1.
What is the InChIKey of 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is FZUFXBPOTWLBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)8-14-4-5-16-9(6-14)7-15-3-1-2-13-15/h1-3,9-10H,4-8H2.
What are the key properties of 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine?
4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 231.25 g/mol, XLogP of 0.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethyl)-2-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 75420681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).