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

C8H13F2N3 — CID 166500176

IUPAC1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1[C@H](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/t6-/m1/s1
InChIKeyUZSDRXORLYFGCI-ZCFIWIBFSA-N
MW189.21 g/mol
LogP2.23
Rot. Bonds3

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

1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole (PubChem CID 166500176) has the molecular formula C8H13F2N3 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole
PubChem CID166500176
Molecular FormulaC8H13F2N3
Molecular Weight189.21 g/mol
Exact Mass189.11
IUPAC Name1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole
SMILESCC(C)c1ncnn1[C@H](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/t6-/m1/s1
InChIKeyUZSDRXORLYFGCI-ZCFIWIBFSA-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

5-isopropyl-1-methyl-1H-1,2,4-triazole
CID 15496056
1-isopropyl-3-methyl-1H-1,2,4-triazole
CID 20744898
3-Ethyl-5-[2-(1,2,4-triazol-1-yl)ethyl]-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 131931768
1-(3-Fluoropropyl)-5-methyl-3-(trifluoromethyl)-1,2,4-triazole
CID 85946582
3-Butyl-1-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)-1,2,4-triazole
CID 21869094
3-Butyl-1-(3,3,3-trifluoropropyl)-1,2,4-triazole
CID 21869109
1-Butan-2-yl-5-(1,1-difluorobutyl)-1,2,4-triazole
CID 54455565
1,5-Di(propan-2-yl)-3-(trifluoromethyl)-1,2,4-triazole
CID 57973778
3,4-Di(propan-2-yl)-5-(trifluoromethyl)-1,2,4-triazole
CID 57973802
3-Tert-butyl-1-(difluoromethyl)-1,2,4-triazole
CID 58049405
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)-1,2,4-triazole
CID 58203888
1-Propan-2-yl-3-(trifluoromethyl)-1,2,4-triazole
CID 58977190

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole?
The IUPAC name of 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole (CID 166500176) is 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole.
What is the SMILES notation for 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole?
The canonical SMILES for 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole is CC(C)c1ncnn1[C@H](C)C(F)F.
What is the InChIKey of 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole?
The InChIKey is UZSDRXORLYFGCI-ZCFIWIBFSA-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/t6-/m1/s1.
What are the key properties of 1-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole?
1-[(2R)-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-[(2R)-1,1-difluoropropan-2-yl]-5-propan-2-yl-1,2,4-triazole is sourced from PubChem (CID 166500176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).