N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide

C7H10F2N4O2 — CID 104862741

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(F)(F)CO
InChIInChI=1S/C7H10F2N4O2/c8-7(9,5-14)4-10-6(15)3-13-2-1-11-12-13/h1-2,14H,3-5H2,(H,10,15)
InChIKeyIULBUZPBMFFXCV-UHFFFAOYSA-N
MW220.18 g/mol
LogP-0.98
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide

N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide (PubChem CID 104862741) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide
PubChem CID104862741
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(F)(F)CO
InChIInChI=1S/C7H10F2N4O2/c8-7(9,5-14)4-10-6(15)3-13-2-1-11-12-13/h1-2,14H,3-5H2,(H,10,15)
InChIKeyIULBUZPBMFFXCV-UHFFFAOYSA-N
XLogP-0.98
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.18
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide (CID 104862741) is N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide?
The InChIKey is IULBUZPBMFFXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-7(9,5-14)4-10-6(15)3-13-2-1-11-12-13/h1-2,14H,3-5H2,(H,10,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide has a molecular weight of 220.18 g/mol, XLogP of -0.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 104862741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).