1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole

C8H13F2N3 — CID 157030837

IUPAC1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1C(C)C(F)F
InChIInChI=1S/C8H13F2N3/c1-5(2)8-11-4-12-13(8)6(3)7(9)10/h4-7H,1-3H3
InChIKeyUZSDRXORLYFGCI-UHFFFAOYSA-N
MW189.21 g/mol
LogP2.23
Rot. Bonds3

About 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole

1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole (PubChem CID 157030837) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
PubChem CID157030837
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1C(C)C(F)F
InChIInChI=1S/C8H13F2N3/c1-5(2)8-11-4-12-13(8)6(3)7(9)10/h4-7H,1-3H3
InChIKeyUZSDRXORLYFGCI-UHFFFAOYSA-N
XLogP2.23
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,1-difluoropropan-2-yl)-5-methyl-1,2,4-triazole;ethane
CID 157031586
1-(3,3-difluoropropyl)-5-propan-2-yl-1,2,4-triazole
CID 166500003
1-cyclobutyl-5-propan-2-yl-1,2,4-triazole
CID 122644568
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine;hydrochloride
CID 47000789
5-(methoxymethyl)-1-propan-2-yl-1,2,4-triazole
CID 58602880
5-methyl-2-(5-propan-2-yl-1,2,4-triazol-1-yl)pyridine
CID 166878634
3-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,2-thiazole
CID 166542000
2-bromo-5-(5-propan-2-yl-1,2,4-triazol-1-yl)pyrazine
CID 178047135
2,3-dimethyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 130530383
1-(2-methyl-1,2,4-triazol-3-yl)ethanamine;hydrochloride
CID 75493804
(2-propan-2-yl-1,2,4-triazol-3-yl)boronic acid
CID 126978964
5-(5-propan-2-yl-1,2,4-triazol-1-yl)-1,3-thiazole-2-carbonitrile
CID 166541998

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole (CID 157030837) is 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole is CC(C)c1ncnn1C(C)C(F)F.
What is the InChIKey of 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole?
The InChIKey is UZSDRXORLYFGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N3/c1-5(2)8-11-4-12-13(8)6(3)7(9)10/h4-7H,1-3H3.
What are the key properties of 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole?
1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole has a molecular weight of 189.21 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoropropan-2-yl)-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 157030837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).