5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole

C9H5F6N3S — CID 103310053

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESFC(F)(F)C(c1nc(-c2cccs2)n[nH]1)C(F)(F)F
InChIInChI=1S/C9H5F6N3S/c10-8(11,12)5(9(13,14)15)7-16-6(17-18-7)4-2-1-3-19-4/h1-3,5H,(H,16,17,18)
InChIKeyBZXGMPYLSRYYEY-UHFFFAOYSA-N
MW301.22 g/mol
LogP3.74
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 103310053) has the molecular formula C9H5F6N3S and a molecular weight of 301.22 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID103310053
Molecular FormulaC9H5F6N3S
Molecular Weight301.22 g/mol
Exact Mass301.01
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESFC(F)(F)C(c1nc(-c2cccs2)n[nH]1)C(F)(F)F
InChIInChI=1S/C9H5F6N3S/c10-8(11,12)5(9(13,14)15)7-16-6(17-18-7)4-2-1-3-19-4/h1-3,5H,(H,16,17,18)
InChIKeyBZXGMPYLSRYYEY-UHFFFAOYSA-N
XLogP3.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole with MolForge

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Related Compounds

(1S)-1-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)propan-1-amine
CID 94573698
phenyl-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanol
CID 55111758
(R)-(4-methylphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287931
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1,2,4-oxadiazole
CID 19334507
(S)-(3-methoxyphenyl)-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287378
ethyl 2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)pentanoate
CID 79471994
5-cyclopropyl-3-thiophen-2-yl-1H-1,2,4-triazole
CID 61337137
3-thiophen-2-yl-5-(2,4,4-trimethylpentyl)-1H-1,2,4-triazole
CID 55222065
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]propan-2-amine
CID 62732833
2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)acetic acid
CID 62733596
N-[(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)methyl]aniline
CID 62732644
N-methyl-2-(3-thiophen-2-yl-1H-1,2,4-triazol-5-yl)ethanamine
CID 62734149

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole (CID 103310053) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole is FC(F)(F)C(c1nc(-c2cccs2)n[nH]1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is BZXGMPYLSRYYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6N3S/c10-8(11,12)5(9(13,14)15)7-16-6(17-18-7)4-2-1-3-19-4/h1-3,5H,(H,16,17,18).
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 301.22 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 103310053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).