2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine

C8H11F2N3O — CID 170711803

IUPAC2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2CNCC(F)(F)O2)cn1
InChIInChI=1S/C8H11F2N3O/c1-13-4-6(2-12-13)7-3-11-5-8(9,10)14-7/h2,4,7,11H,3,5H2,1H3
InChIKeyDTTHTBRPFRAKLN-UHFFFAOYSA-N
MW203.19 g/mol
LogP0.67
Rot. Bonds1

About 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine

2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine (PubChem CID 170711803) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine
PubChem CID170711803
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2CNCC(F)(F)O2)cn1
InChIInChI=1S/C8H11F2N3O/c1-13-4-6(2-12-13)7-3-11-5-8(9,10)14-7/h2,4,7,11H,3,5H2,1H3
InChIKeyDTTHTBRPFRAKLN-UHFFFAOYSA-N
XLogP0.67
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71695337
2-methyl-2-(1-methyl-1H-pyrazol-4-yl)morpholine
CID 71756151
1-ethyl-4-[(pyrrolidin-3-yloxy)methyl]-1H-pyrazole
CID 62328791
CID 58450270
CID 58450270
1-Methyl-4-(2,2,2-trifluoro-1-methoxyethyl)pyrazole
CID 68229653
5-[1-(Difluoromethyl)pyrazol-4-yl]-2-methyl-1,3-oxazolidine
CID 166121207
(2S,6R)-2-(1-cyclopropyl-5-fluoropyrazol-4-yl)-6-methylmorpholine
CID 166121372
2-Cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
CID 166121405
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
CID 166121424
(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
CID 166121657
2-(1-Cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
CID 166122046
[2-[1-(Difluoromethyl)pyrazol-4-yl]-6-methylmorpholin-4-yl] thiohypoiodite
CID 166122153

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine (CID 170711803) is 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2CNCC(F)(F)O2)cn1.
What is the InChIKey of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is DTTHTBRPFRAKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-13-4-6(2-12-13)7-3-11-5-8(9,10)14-7/h2,4,7,11H,3,5H2,1H3.
What are the key properties of 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine?
2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 203.19 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-6-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 170711803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).