4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine

C11H17F2N3O — CID 144664962

IUPAC4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
SMILESCc1ccn(CC(F)(F)CN2CCOCC2)n1
InChIInChI=1S/C11H17F2N3O/c1-10-2-3-16(14-10)9-11(12,13)8-15-4-6-17-7-5-15/h2-3H,4-9H2,1H3
InChIKeyJATOGINMIZBJPD-UHFFFAOYSA-N
MW245.27 g/mol
LogP1.16
Rot. Bonds4

About 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine

4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine (PubChem CID 144664962) has the molecular formula C11H17F2N3O and a molecular weight of 245.27 g/mol. Its IUPAC name is 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine.

Molecular Properties

Compound Name4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
PubChem CID144664962
Molecular FormulaC11H17F2N3O
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine
SMILESCc1ccn(CC(F)(F)CN2CCOCC2)n1
InChIInChI=1S/C11H17F2N3O/c1-10-2-3-16(14-10)9-11(12,13)8-15-4-6-17-7-5-15/h2-3H,4-9H2,1H3
InChIKeyJATOGINMIZBJPD-UHFFFAOYSA-N
XLogP1.16
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
The IUPAC name of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine (CID 144664962) is 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine.
What is the SMILES notation for 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
The canonical SMILES for 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine is Cc1ccn(CC(F)(F)CN2CCOCC2)n1.
What is the InChIKey of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
The InChIKey is JATOGINMIZBJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O/c1-10-2-3-16(14-10)9-11(12,13)8-15-4-6-17-7-5-15/h2-3H,4-9H2,1H3.
What are the key properties of 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine?
4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine has a molecular weight of 245.27 g/mol, XLogP of 1.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoro-3-(3-methylpyrazol-1-yl)propyl]morpholine is sourced from PubChem (CID 144664962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).