(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol

C6H8F3N3O — CID 175493668

IUPAC(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
SMILESC[C@H](O)c1nncn1C(F)C(F)F
InChIInChI=1S/C6H8F3N3O/c1-3(13)6-11-10-2-12(6)5(9)4(7)8/h2-5,13H,1H3/t3-,5?/m0/s1
InChIKeyXPIQMNRMSLAKEW-WWLRPLJCSA-N
MW195.14 g/mol
LogP1.06
Rot. Bonds3

About (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol

(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 175493668) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID175493668
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
SMILESC[C@H](O)c1nncn1C(F)C(F)F
InChIInChI=1S/C6H8F3N3O/c1-3(13)6-11-10-2-12(6)5(9)4(7)8/h2-5,13H,1H3/t3-,5?/m0/s1
InChIKeyXPIQMNRMSLAKEW-WWLRPLJCSA-N
XLogP1.06
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol (CID 175493668) is (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol is C[C@H](O)c1nncn1C(F)C(F)F.
What is the InChIKey of (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is XPIQMNRMSLAKEW-WWLRPLJCSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-3(13)6-11-10-2-12(6)5(9)4(7)8/h2-5,13H,1H3/t3-,5?/m0/s1.
What are the key properties of (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
(1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 195.14 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(1,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 175493668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).