(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine

C11H15F2N3O — CID 166121657

IUPAC(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
SMILESFC(F)n1cc([C@H]2CNC[C@@H](C3CC3)O2)cn1
InChIInChI=1S/C11H15F2N3O/c12-11(13)16-6-8(3-15-16)10-5-14-4-9(17-10)7-1-2-7/h3,6-7,9-11,14H,1-2,4-5H2/t9-,10+/m0/s1
InChIKeyPHMFELCIZCWIBD-VHSXEESVSA-N
MW243.26 g/mol
LogP1.72
Rot. Bonds3

About (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine

(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine (PubChem CID 166121657) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine.

Molecular Properties

Compound Name(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
PubChem CID166121657
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine
SMILESFC(F)n1cc([C@H]2CNC[C@@H](C3CC3)O2)cn1
InChIInChI=1S/C11H15F2N3O/c12-11(13)16-6-8(3-15-16)10-5-14-4-9(17-10)7-1-2-7/h3,6-7,9-11,14H,1-2,4-5H2/t9-,10+/m0/s1
InChIKeyPHMFELCIZCWIBD-VHSXEESVSA-N
XLogP1.72
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine?
The IUPAC name of (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine (CID 166121657) is (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine.
What is the SMILES notation for (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine?
The canonical SMILES for (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine is FC(F)n1cc([C@H]2CNC[C@@H](C3CC3)O2)cn1.
What is the InChIKey of (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine?
The InChIKey is PHMFELCIZCWIBD-VHSXEESVSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)16-6-8(3-15-16)10-5-14-4-9(17-10)7-1-2-7/h3,6-7,9-11,14H,1-2,4-5H2/t9-,10+/m0/s1.
What are the key properties of (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine?
(2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine has a molecular weight of 243.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2-cyclopropyl-6-[1-(difluoromethyl)pyrazol-4-yl]morpholine is sourced from PubChem (CID 166121657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).