4-(1,1-difluoroethoxymethyl)-1-phenyltriazole

C11H11F2N3O — CID 68641955

IUPAC4-(1,1-difluoroethoxymethyl)-1-phenyltriazole
SMILESCC(F)(F)OCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C11H11F2N3O/c1-11(12,13)17-8-9-7-16(15-14-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyACCGIPBDCCVXQZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP2.40
Rot. Bonds4

About 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole

4-(1,1-difluoroethoxymethyl)-1-phenyltriazole (PubChem CID 68641955) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole.

Molecular Properties

Compound Name4-(1,1-difluoroethoxymethyl)-1-phenyltriazole
PubChem CID68641955
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name4-(1,1-difluoroethoxymethyl)-1-phenyltriazole
SMILESCC(F)(F)OCc1cn(-c2ccccc2)nn1
InChIInChI=1S/C11H11F2N3O/c1-11(12,13)17-8-9-7-16(15-14-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3
InChIKeyACCGIPBDCCVXQZ-UHFFFAOYSA-N
XLogP2.40
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole?
The IUPAC name of 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole (CID 68641955) is 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole.
What is the SMILES notation for 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole?
The canonical SMILES for 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole is CC(F)(F)OCc1cn(-c2ccccc2)nn1.
What is the InChIKey of 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole?
The InChIKey is ACCGIPBDCCVXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-11(12,13)17-8-9-7-16(15-14-9)10-5-3-2-4-6-10/h2-7H,8H2,1H3.
What are the key properties of 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole?
4-(1,1-difluoroethoxymethyl)-1-phenyltriazole has a molecular weight of 239.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethoxymethyl)-1-phenyltriazole is sourced from PubChem (CID 68641955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).