[5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

C7H11F2N3O — CID 130605197

IUPAC[5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C(C)(F)F
InChIInChI=1S/C7H11F2N3O/c1-3-12-5(4-13)10-11-6(12)7(2,8)9/h13H,3-4H2,1-2H3
InChIKeyRPARYMAUIPEMJO-UHFFFAOYSA-N
MW191.18 g/mol
LogP0.90
Rot. Bonds3

About [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol

[5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (PubChem CID 130605197) has the molecular formula C7H11F2N3O and a molecular weight of 191.18 g/mol. Its IUPAC name is [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
PubChem CID130605197
Molecular FormulaC7H11F2N3O
Molecular Weight191.18 g/mol
Exact Mass191.09
IUPAC Name[5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol
SMILESCCn1c(CO)nnc1C(C)(F)F
InChIInChI=1S/C7H11F2N3O/c1-3-12-5(4-13)10-11-6(12)7(2,8)9/h13H,3-4H2,1-2H3
InChIKeyRPARYMAUIPEMJO-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol (CID 130605197) is [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is CCn1c(CO)nnc1C(C)(F)F.
What is the InChIKey of [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is RPARYMAUIPEMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O/c1-3-12-5(4-13)10-11-6(12)7(2,8)9/h13H,3-4H2,1-2H3.
What are the key properties of [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol?
[5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 191.18 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,1-difluoroethyl)-4-ethyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 130605197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).