(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol

C5H7F2N3O — CID 178009297

IUPAC(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol
SMILESC[C@@H](O)c1ncn(C(F)F)n1
InChIInChI=1S/C5H7F2N3O/c1-3(11)4-8-2-10(9-4)5(6)7/h2-3,5,11H,1H3/t3-/m1/s1
InChIKeyOMKPFAWOCATCEW-GSVOUGTGSA-N
MW163.13 g/mol
LogP0.73
Rot. Bonds2

About (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol

(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol (PubChem CID 178009297) has the molecular formula C5H7F2N3O and a molecular weight of 163.13 g/mol. Its IUPAC name is (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol
PubChem CID178009297
Molecular FormulaC5H7F2N3O
Molecular Weight163.13 g/mol
Exact Mass163.06
IUPAC Name(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol
SMILESC[C@@H](O)c1ncn(C(F)F)n1
InChIInChI=1S/C5H7F2N3O/c1-3(11)4-8-2-10(9-4)5(6)7/h2-3,5,11H,1H3/t3-/m1/s1
InChIKeyOMKPFAWOCATCEW-GSVOUGTGSA-N
XLogP0.73
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.13
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-1,2,4-triazol-3-yl)methanol
CID 10351670
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
(1-methyl-1H-1,2,4-triazol-5-yl)methanol hydrochloride
CID 126802643
2,2,2-Trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)ethane-1,1-diol
CID 135060558
(4-(2,2,2-trifluoroethyl)-4H-1,2,4-triazol-3-yl)methanol
CID 81665545
[1-methyl-3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methanol
CID 165997726
(1-methyl-1H-1,2,4-triazol-5-yl)methanol
CID 11073377
[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
3-(pentafluoroethyl)-1H-1,2,4-triazole 1-ylmethanol
CID 23149128
1-[3-(Trifluoromethyl)-1,2,4-triazol-1-yl]ethanol
CID 57028757

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol?
The IUPAC name of (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol (CID 178009297) is (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol?
The canonical SMILES for (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol is C[C@@H](O)c1ncn(C(F)F)n1.
What is the InChIKey of (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol?
The InChIKey is OMKPFAWOCATCEW-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H7F2N3O/c1-3(11)4-8-2-10(9-4)5(6)7/h2-3,5,11H,1H3/t3-/m1/s1.
What are the key properties of (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol?
(1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol has a molecular weight of 163.13 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[1-(difluoromethyl)-1,2,4-triazol-3-yl]ethanol is sourced from PubChem (CID 178009297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).