1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol

C7H10F3N3O2 — CID 63899266

IUPAC1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol
SMILESOCCc1cn(CC(O)C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)4-13-3-5(1-2-14)11-12-13/h3,6,14-15H,1-2,4H2
InChIKeyFDNUQRMCBNMCQZ-UHFFFAOYSA-N
MW225.17 g/mol
LogP-0.26
Rot. Bonds4

About 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol

1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol (PubChem CID 63899266) has the molecular formula C7H10F3N3O2 and a molecular weight of 225.17 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol
PubChem CID63899266
Molecular FormulaC7H10F3N3O2
Molecular Weight225.17 g/mol
Exact Mass225.07
IUPAC Name1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol
SMILESOCCc1cn(CC(O)C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)4-13-3-5(1-2-14)11-12-13/h3,6,14-15H,1-2,4H2
InChIKeyFDNUQRMCBNMCQZ-UHFFFAOYSA-N
XLogP-0.26
TPSA71.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.17
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol (CID 63899266) is 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol is OCCc1cn(CC(O)C(F)(F)F)nn1.
What is the InChIKey of 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol?
The InChIKey is FDNUQRMCBNMCQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O2/c8-7(9,10)6(15)4-13-3-5(1-2-14)11-12-13/h3,6,14-15H,1-2,4H2.
What are the key properties of 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol?
1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol has a molecular weight of 225.17 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[4-(2-hydroxyethyl)triazol-1-yl]propan-2-ol is sourced from PubChem (CID 63899266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).