2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol

C7H10F3N3O — CID 130549069

IUPAC2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol
SMILESCC(C)n1cc(C(O)C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O/c1-4(2)13-3-5(11-12-13)6(14)7(8,9)10/h3-4,6,14H,1-2H3
InChIKeyKSQLJCMFAKPTMS-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.45
Rot. Bonds2

About 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol

2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol (PubChem CID 130549069) has the molecular formula C7H10F3N3O and a molecular weight of 209.17 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol
PubChem CID130549069
Molecular FormulaC7H10F3N3O
Molecular Weight209.17 g/mol
Exact Mass209.08
IUPAC Name2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol
SMILESCC(C)n1cc(C(O)C(F)(F)F)nn1
InChIInChI=1S/C7H10F3N3O/c1-4(2)13-3-5(11-12-13)6(14)7(8,9)10/h3-4,6,14H,1-2H3
InChIKeyKSQLJCMFAKPTMS-UHFFFAOYSA-N
XLogP1.45
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl)propan-1-ol
CID 62401663
1-Methyl-1H-1,2,3-triazole-4-methanol
CID 12654349
(1-ethyl-1H-1,2,3-triazol-4-yl)methanol
CID 12654351
2-(1-methyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 56995281
(1-(propan-2-yl)-1H-1,2,3-triazol-4-yl)methanol
CID 62402024
(1-methyl-1H-1,2,3-triazol-4-yl)methanol hydrochloride
CID 67486163
1-(1-methyl-1H-1,2,3-triazol-4-yl)ethan-1-ol
CID 81445217
2-(1-ethyl-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 112756264
(1R)-1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-ol
CID 122163655
(1S)-1-(1-methyl-1H-1,2,3-triazol-5-yl)ethan-1-ol
CID 122163800
1-Butyl-1H-1,2,3-triazole-4-methanol
CID 12654353
4-Hydroxymethyl-1-propyl-1,2,3-triazole
CID 22938752

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol (CID 130549069) is 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol is CC(C)n1cc(C(O)C(F)(F)F)nn1.
What is the InChIKey of 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol?
The InChIKey is KSQLJCMFAKPTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N3O/c1-4(2)13-3-5(11-12-13)6(14)7(8,9)10/h3-4,6,14H,1-2H3.
What are the key properties of 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol?
2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol has a molecular weight of 209.17 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-propan-2-yltriazol-4-yl)ethanol is sourced from PubChem (CID 130549069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).