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

C6H8F3N3O — CID 164920643

IUPAC(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
SMILESC[C@H](O)c1nncn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-4(13)5-11-10-3-12(5)2-6(7,8)9/h3-4,13H,2H2,1H3/t4-/m0/s1
InChIKeyDINPRTCMTLBQIB-BYPYZUCNSA-N
MW195.14 g/mol
LogP0.89
Rot. Bonds2

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

(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 164920643) has the molecular formula C6H8F3N3O and a molecular weight of 195.14 g/mol. Its IUPAC name is (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID164920643
Molecular FormulaC6H8F3N3O
Molecular Weight195.14 g/mol
Exact Mass195.06
IUPAC Name(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol
SMILESC[C@H](O)c1nncn1CC(F)(F)F
InChIInChI=1S/C6H8F3N3O/c1-4(13)5-11-10-3-12(5)2-6(7,8)9/h3-4,13H,2H2,1H3/t4-/m0/s1
InChIKeyDINPRTCMTLBQIB-BYPYZUCNSA-N
XLogP0.89
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-ethyl-1H-1,2,4-triazol-5-yl)methanol
CID 11412385
4-Propyl-4H-1,2,4-triazole-3-methanol
CID 22938629
1-(4-methyl-4H-1,2,4-triazol-3-yl)ethan-1-ol
CID 45085253
1-(1-methyl-1H-1,2,4-triazol-5-yl)ethan-1-ol
CID 89881889
(5-ethyl-4-methyl-4H-1,2,4-triazol-3-yl)methanol
CID 53613687
(5-methyl-4-propyl-4H-1,2,4-triazol-3-yl)methanol
CID 71757591
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
[2-(2-Fluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 18406845
[1-(2,2-difluoroethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 18406934
2-Fluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330633
2,2,2-Trifluoro-1-(1-methyl-1,2,4-triazol-3-yl)ethanol
CID 59330640
[5-Methyl-1-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]methanol
CID 68355492

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol (CID 164920643) is (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol is C[C@H](O)c1nncn1CC(F)(F)F.
What is the InChIKey of (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is DINPRTCMTLBQIB-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8F3N3O/c1-4(13)5-11-10-3-12(5)2-6(7,8)9/h3-4,13H,2H2,1H3/t4-/m0/s1.
What are the key properties of (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol?
(1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 195.14 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 164920643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).