5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

C10H16F3N3O — CID 79952884

IUPAC5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCC(C)n1ncnc1CC(O)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-7(2)16-9(14-6-15-16)5-8(17)3-4-10(11,12)13/h6-8,17H,3-5H2,1-2H3
InChIKeyWEIMVKXSFKVJFD-UHFFFAOYSA-N
MW251.25 g/mol
LogP2.10
Rot. Bonds5

About 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol

5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (PubChem CID 79952884) has the molecular formula C10H16F3N3O and a molecular weight of 251.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
PubChem CID79952884
Molecular FormulaC10H16F3N3O
Molecular Weight251.25 g/mol
Exact Mass251.12
IUPAC Name5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol
SMILESCC(C)n1ncnc1CC(O)CCC(F)(F)F
InChIInChI=1S/C10H16F3N3O/c1-7(2)16-9(14-6-15-16)5-8(17)3-4-10(11,12)13/h6-8,17H,3-5H2,1-2H3
InChIKeyWEIMVKXSFKVJFD-UHFFFAOYSA-N
XLogP2.10
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol with MolForge

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Launch Full Analysis

Related Compounds

1-[4-(Methylideneamino)-5-(trifluoromethyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 156532993
4,4,4-Trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65602060
1,1,1-Trifluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-ol
CID 65602457
1-(2-Ethyl-1,2,4-triazol-3-yl)-4,4,4-trifluorobutan-2-ol
CID 65605004
4,4,4-Trifluoro-1-(2-propyl-1,2,4-triazol-3-yl)butan-2-ol
CID 65605005
4,4,4-Trifluoro-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-ol
CID 65605204
4,4,4-Trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)butan-2-ol
CID 65605205
3-(1-Ethyl-1h-1,2,4-triazol-5-yl)-1,1,1-trifluoropropan-2-ol
CID 65606410
1,1,1-Trifluoro-3-(2-propyl-1,2,4-triazol-3-yl)propan-2-ol
CID 65606411
1,1,1-Trifluoro-3-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]propan-2-ol
CID 65606412
1,1,1-Trifluoro-3-(2-propan-2-yl-1,2,4-triazol-3-yl)propan-2-ol
CID 65606413
1-(2-Ethyl-1,2,4-triazol-3-yl)-5,5,5-trifluoropentan-2-ol
CID 79952998

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The IUPAC name of 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol (CID 79952884) is 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is CC(C)n1ncnc1CC(O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
The InChIKey is WEIMVKXSFKVJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N3O/c1-7(2)16-9(14-6-15-16)5-8(17)3-4-10(11,12)13/h6-8,17H,3-5H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol?
5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol has a molecular weight of 251.25 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(2-propan-2-yl-1,2,4-triazol-3-yl)pentan-2-ol is sourced from PubChem (CID 79952884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).