2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

C7H8F4N4O — CID 103760446

IUPAC2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(NCCc1ncn[nH]1)C(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4O/c8-5(9)7(10,11)6(16)12-2-1-4-13-3-14-15-4/h3,5H,1-2H2,(H,12,16)(H,13,14,15)
InChIKeyNYPWRWQJAYFGSI-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.36
Rot. Bonds5

About 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (PubChem CID 103760446) has the molecular formula C7H8F4N4O and a molecular weight of 240.16 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
PubChem CID103760446
Molecular FormulaC7H8F4N4O
Molecular Weight240.16 g/mol
Exact Mass240.06
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
SMILESO=C(NCCc1ncn[nH]1)C(F)(F)C(F)F
InChIInChI=1S/C7H8F4N4O/c8-5(9)7(10,11)6(16)12-2-1-4-13-3-14-15-4/h3,5H,1-2H2,(H,12,16)(H,13,14,15)
InChIKeyNYPWRWQJAYFGSI-UHFFFAOYSA-N
XLogP0.36
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103725332
2-amino-2-cyclopropyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 64532140
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]prop-2-enamide
CID 64547195
(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
2,2,3,3-tetrafluoro-N-(2-pyridin-2-ylethyl)propanamide
CID 103731925
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118
2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 64531607
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-4-(trifluoromethoxy)benzamide
CID 64546842
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide (CID 103760446) is 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is O=C(NCCc1ncn[nH]1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
The InChIKey is NYPWRWQJAYFGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4O/c8-5(9)7(10,11)6(16)12-2-1-4-13-3-14-15-4/h3,5H,1-2H2,(H,12,16)(H,13,14,15).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide has a molecular weight of 240.16 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 103760446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).