N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide

C6H6F4N4O — CID 103528838

IUPACN-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1cn[nH]n1
InChIInChI=1S/C6H6F4N4O/c7-5(8)6(9,10)2-11-4(15)3-1-12-14-13-3/h1,5H,2H2,(H,11,15)(H,12,13,14)
InChIKeyRYWFAHSFBBMNLH-UHFFFAOYSA-N
MW226.13 g/mol
LogP0.43
Rot. Bonds4

About N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide

N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide (PubChem CID 103528838) has the molecular formula C6H6F4N4O and a molecular weight of 226.13 g/mol. Its IUPAC name is N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide
PubChem CID103528838
Molecular FormulaC6H6F4N4O
Molecular Weight226.13 g/mol
Exact Mass226.05
IUPAC NameN-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)F)c1cn[nH]n1
InChIInChI=1S/C6H6F4N4O/c7-5(8)6(9,10)2-11-4(15)3-1-12-14-13-3/h1,5H,2H2,(H,11,15)(H,12,13,14)
InChIKeyRYWFAHSFBBMNLH-UHFFFAOYSA-N
XLogP0.43
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.13
LogP ≤ 50.43
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

N-methyl-1H-1,2,3-triazole-4-carboxamide
CID 53678135
N-ethyl-1H-1,2,3-triazole-4-carboxamide
CID 53950134
N-cyclopropyl-1H-1,2,3-triazole-5-carboxamide
CID 61069826
N-allyl-1,2,3-triazole-4-carboxamide
CID 61069642
Piperazinyl(1h-1,2,3-triazol-4-yl)methanone
CID 62047765
N-(2,2,3,3-Tetrafluoropropyl)-1,2,5-thiadiazole-3-carboxamide
CID 99835136
N-(trifluoromethyl)-2H-triazole-4-carboxamide
CID 69627948
2,2,2-trifluoro-N-(2H-triazol-4-ylmethyl)acetamide
CID 101584665
3-(3,3,3-Trifluoropropyl)triazole-4-carboxamide
CID 175848667
1-methyl-N-(2,2,2-trifluoroethyl)-1H-1,2,3-triazole-4-carboxamide
CID 45497208
2H-triazol-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 47336883
[4-(2,2-difluoroethyl)piperazin-1-yl]-(2H-triazol-4-yl)methanone
CID 49070014

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide?
The IUPAC name of N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide (CID 103528838) is N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide.
What is the SMILES notation for N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide?
The canonical SMILES for N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide is O=C(NCC(F)(F)C(F)F)c1cn[nH]n1.
What is the InChIKey of N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide?
The InChIKey is RYWFAHSFBBMNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4N4O/c7-5(8)6(9,10)2-11-4(15)3-1-12-14-13-3/h1,5H,2H2,(H,11,15)(H,12,13,14).
What are the key properties of N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide?
N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide has a molecular weight of 226.13 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3-tetrafluoropropyl)-2H-triazole-4-carboxamide is sourced from PubChem (CID 103528838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).