(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine

C11H15F2N3O — CID 166121424

IUPAC(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
SMILESFC(F)[C@@H]1CNC[C@H](c2cnn(C3CC3)c2)O1
InChIInChI=1S/C11H15F2N3O/c12-11(13)10-5-14-4-9(17-10)7-3-15-16(6-7)8-1-2-8/h3,6,8-11,14H,1-2,4-5H2/t9-,10+/m1/s1
InChIKeyRKDVOHVXPOEATC-ZJUUUORDSA-N
MW243.26 g/mol
LogP1.51
Rot. Bonds3

About (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine

(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine (PubChem CID 166121424) has the molecular formula C11H15F2N3O and a molecular weight of 243.26 g/mol. Its IUPAC name is (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine.

Molecular Properties

Compound Name(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
PubChem CID166121424
Molecular FormulaC11H15F2N3O
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Name(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine
SMILESFC(F)[C@@H]1CNC[C@H](c2cnn(C3CC3)c2)O1
InChIInChI=1S/C11H15F2N3O/c12-11(13)10-5-14-4-9(17-10)7-3-15-16(6-7)8-1-2-8/h3,6,8-11,14H,1-2,4-5H2/t9-,10+/m1/s1
InChIKeyRKDVOHVXPOEATC-ZJUUUORDSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine?
The IUPAC name of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine (CID 166121424) is (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine.
What is the SMILES notation for (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine?
The canonical SMILES for (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine is FC(F)[C@@H]1CNC[C@H](c2cnn(C3CC3)c2)O1.
What is the InChIKey of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine?
The InChIKey is RKDVOHVXPOEATC-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H15F2N3O/c12-11(13)10-5-14-4-9(17-10)7-3-15-16(6-7)8-1-2-8/h3,6,8-11,14H,1-2,4-5H2/t9-,10+/m1/s1.
What are the key properties of (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine?
(2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine has a molecular weight of 243.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6S)-2-(1-cyclopropylpyrazol-4-yl)-6-(difluoromethyl)morpholine is sourced from PubChem (CID 166121424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).