(2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

C14H18F5N3O3 — CID 178007738

About (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol

(2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (PubChem CID 178007738) has the molecular formula C14H18F5N3O3 and a molecular weight of 371.31 g/mol. Its IUPAC name is (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

Molecular Properties

• Compound Name: (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
• PubChem CID: 178007738
• Molecular Formula: C14H18F5N3O3
• Molecular Weight: 371.31 g/mol
• Exact Mass: 371.13
• IUPAC Name: (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
• SMILES: CC(C)C1O[C@H](C(F)F)[C@H](O)[C@H](O)[C@H]1Nc1cncc(C(F)(F)F)n1
• InChI: InChI=1S/C14H18F5N3O3/c1-5(2)11-8(9(23)10(24)12(25-11)13(15)16)22-7-4-20-3-6(21-7)14(17,18)19/h3-5,8-13,23-24H,1-2H3,(H,21,22)/t8-,9-,10-,11?,12+/m1/s1
• InChIKey: MDDSRDKLYKTBLX-FJSQNCIDSA-N
• XLogP: 1.69
• TPSA: 87.50 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	371.31
LogP ≤ 5	1.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

The IUPAC name of (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol (CID 178007738) is (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol.

What is the SMILES notation for (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

The canonical SMILES for (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is CC(C)C1O[C@H](C(F)F)[C@H](O)[C@H](O)[C@H]1Nc1cncc(C(F)(F)F)n1.

What is the InChIKey of (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

The InChIKey is MDDSRDKLYKTBLX-FJSQNCIDSA-N. The full InChI is InChI=1S/C14H18F5N3O3/c1-5(2)11-8(9(23)10(24)12(25-11)13(15)16)22-7-4-20-3-6(21-7)14(17,18)19/h3-5,8-13,23-24H,1-2H3,(H,21,22)/t8-,9-,10-,11?,12+/m1/s1.

What are the key properties of (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol?

(2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol has a molecular weight of 371.31 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S,3R,4R,5R)-2-(difluoromethyl)-6-propan-2-yl-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol is sourced from PubChem (CID 178007738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).