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

C7H10F2N4O2 — CID 103770287

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

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

N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide (PubChem CID 103770287) has the molecular formula C7H10F2N4O2 and a molecular weight of 220.18 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide
PubChem CID103770287
Molecular FormulaC7H10F2N4O2
Molecular Weight220.18 g/mol
Exact Mass220.08
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide
SMILESO=C(Cn1ccnn1)NCC(O)C(F)F
InChIInChI=1S/C7H10F2N4O2/c8-7(9)5(14)3-10-6(15)4-13-2-1-11-12-13/h1-2,5,7,14H,3-4H2,(H,10,15)
InChIKeyDEJVRHPAPNXYNZ-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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Related Compounds

2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
CID 103516020
2-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103755769
3-(triazol-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103755896
N-(3,3-difluoro-2-hydroxypropyl)-3-(triazol-1-yl)propanamide
CID 103769662
N-(2-hydroxyethyl)-2-(triazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103915395
1,1,1-Trifluoro-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
CID 104444645
1,1,1-Trifluoro-3-[3-(triazol-1-yl)propylamino]propan-2-ol
CID 104445018
N-[3-(triazol-1-yl)propyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 104445490
2,2,2-trifluoro-N-[3-(triazol-1-yl)propyl]acetamide
CID 104449616
N-(2,2-difluoro-3-hydroxypropyl)-3-(triazol-1-yl)propanamide
CID 104857160
N-(2,2-difluoro-3-hydroxypropyl)-2-(triazol-1-yl)acetamide
CID 104862741
N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-2-(triazol-1-yl)acetamide
CID 107483067

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide (CID 103770287) is N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide is O=C(Cn1ccnn1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide?
The InChIKey is DEJVRHPAPNXYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N4O2/c8-7(9)5(14)3-10-6(15)4-13-2-1-11-12-13/h1-2,5,7,14H,3-4H2,(H,10,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide?
N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-2-(triazol-1-yl)acetamide is sourced from PubChem (CID 103770287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).