[5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

C7H11F2N3O2 — CID 115395995

IUPAC[5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(F)F
InChIInChI=1S/C7H11F2N3O2/c1-14-3-2-12-5(4-13)10-11-7(12)6(8)9/h6,13H,2-4H2,1H3
InChIKeyQIPFFBAWSQMGPT-UHFFFAOYSA-N
MW207.18 g/mol
LogP0.35
Rot. Bonds5

About [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol

[5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (PubChem CID 115395995) has the molecular formula C7H11F2N3O2 and a molecular weight of 207.18 g/mol. Its IUPAC name is [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
PubChem CID115395995
Molecular FormulaC7H11F2N3O2
Molecular Weight207.18 g/mol
Exact Mass207.08
IUPAC Name[5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol
SMILESCOCCn1c(CO)nnc1C(F)F
InChIInChI=1S/C7H11F2N3O2/c1-14-3-2-12-5(4-13)10-11-7(12)6(8)9/h6,13H,2-4H2,1H3
InChIKeyQIPFFBAWSQMGPT-UHFFFAOYSA-N
XLogP0.35
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.18
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol (CID 115395995) is [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is COCCn1c(CO)nnc1C(F)F.
What is the InChIKey of [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
The InChIKey is QIPFFBAWSQMGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2/c1-14-3-2-12-5(4-13)10-11-7(12)6(8)9/h6,13H,2-4H2,1H3.
What are the key properties of [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol?
[5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol has a molecular weight of 207.18 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).