2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide

C6H8F2N4O — CID 103516019

IUPAC2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide
SMILESO=C(NCCn1ccnn1)C(F)F
InChIInChI=1S/C6H8F2N4O/c7-5(8)6(13)9-1-3-12-4-2-10-11-12/h2,4-5H,1,3H2,(H,9,13)
InChIKeyNMSHPURLZGBBQV-UHFFFAOYSA-N
MW190.15 g/mol
LogP-0.34
Rot. Bonds4

About 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide

2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide (PubChem CID 103516019) has the molecular formula C6H8F2N4O and a molecular weight of 190.15 g/mol. Its IUPAC name is 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide
PubChem CID103516019
Molecular FormulaC6H8F2N4O
Molecular Weight190.15 g/mol
Exact Mass190.07
IUPAC Name2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide
SMILESO=C(NCCn1ccnn1)C(F)F
InChIInChI=1S/C6H8F2N4O/c7-5(8)6(13)9-1-3-12-4-2-10-11-12/h2,4-5H,1,3H2,(H,9,13)
InChIKeyNMSHPURLZGBBQV-UHFFFAOYSA-N
XLogP-0.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 5-0.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,4,4-trifluoro-N-[2-(1H-1,2,3-triazol-1-yl)ethyl]butanamide
CID 122560590
2,2-difluoro-N-[3-(triazol-1-yl)propyl]acetamide
CID 103516020
2-[2-(triazol-1-yl)ethylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104096657
1-[2-(Triazol-1-yl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 104096770
2,2,2-trifluoroethyl N-[2-(triazol-1-yl)ethyl]carbamate
CID 104096773
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)ethyl]propanamide
CID 104099732
2,2,2-trifluoro-N-[2-(triazol-1-yl)ethyl]acetamide
CID 104100661
2-[3-(triazol-1-yl)propylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 104439227
2,2,2-trifluoro-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 104444439
3,3,3-trifluoro-N-[2-(triazol-1-yl)ethyl]propan-1-amine
CID 104444479
2,2-difluoro-N-[2-(triazol-1-yl)ethyl]ethanamine
CID 104444486
2-amino-3,3,3-trifluoro-2-methyl-N-[2-(triazol-1-yl)ethyl]propanamide
CID 104445362

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide?
The IUPAC name of 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide (CID 103516019) is 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide.
What is the SMILES notation for 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide?
The canonical SMILES for 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide is O=C(NCCn1ccnn1)C(F)F.
What is the InChIKey of 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide?
The InChIKey is NMSHPURLZGBBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N4O/c7-5(8)6(13)9-1-3-12-4-2-10-11-12/h2,4-5H,1,3H2,(H,9,13).
What are the key properties of 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide?
2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide has a molecular weight of 190.15 g/mol, XLogP of -0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[2-(triazol-1-yl)ethyl]acetamide is sourced from PubChem (CID 103516019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).