(2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine

C13H15F2N3OS — CID 97085325

IUPAC(2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine
SMILESFC(F)n1ccnc1CN1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C13H15F2N3OS/c14-13(15)18-3-2-16-12(18)8-17-4-5-19-11(7-17)10-1-6-20-9-10/h1-3,6,9,11,13H,4-5,7-8H2/t11-/m0/s1
InChIKeyFPZKKIVHTPEIQN-NSHDSACASA-N
MW299.35 g/mol
LogP2.91
Rot. Bonds4

About (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine

(2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine (PubChem CID 97085325) has the molecular formula C13H15F2N3OS and a molecular weight of 299.35 g/mol. Its IUPAC name is (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine.

Molecular Properties

Compound Name(2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine
PubChem CID97085325
Molecular FormulaC13H15F2N3OS
Molecular Weight299.35 g/mol
Exact Mass299.09
IUPAC Name(2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine
SMILESFC(F)n1ccnc1CN1CCO[C@H](c2ccsc2)C1
InChIInChI=1S/C13H15F2N3OS/c14-13(15)18-3-2-16-12(18)8-17-4-5-19-11(7-17)10-1-6-20-9-10/h1-3,6,9,11,13H,4-5,7-8H2/t11-/m0/s1
InChIKeyFPZKKIVHTPEIQN-NSHDSACASA-N
XLogP2.91
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine?
The IUPAC name of (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine (CID 97085325) is (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine.
What is the SMILES notation for (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine?
The canonical SMILES for (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine is FC(F)n1ccnc1CN1CCO[C@H](c2ccsc2)C1.
What is the InChIKey of (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine?
The InChIKey is FPZKKIVHTPEIQN-NSHDSACASA-N. The full InChI is InChI=1S/C13H15F2N3OS/c14-13(15)18-3-2-16-12(18)8-17-4-5-19-11(7-17)10-1-6-20-9-10/h1-3,6,9,11,13H,4-5,7-8H2/t11-/m0/s1.
What are the key properties of (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine?
(2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine has a molecular weight of 299.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-thiophen-3-ylmorpholine is sourced from PubChem (CID 97085325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).