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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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).