1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole

C8H11F2N3O — CID 166825437

IUPAC1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1ncnn1CC1CC1(F)F
InChIInChI=1S/C8H11F2N3O/c1-14-4-7-11-5-12-13(7)3-6-2-8(6,9)10/h5-6H,2-4H2,1H3
InChIKeyQDEIQOQTHINEEW-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.08
Rot. Bonds4

About 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole

1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole (PubChem CID 166825437) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole
PubChem CID166825437
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole
SMILESCOCc1ncnn1CC1CC1(F)F
InChIInChI=1S/C8H11F2N3O/c1-14-4-7-11-5-12-13(7)3-6-2-8(6,9)10/h5-6H,2-4H2,1H3
InChIKeyQDEIQOQTHINEEW-UHFFFAOYSA-N
XLogP1.08
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole?
The IUPAC name of 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole (CID 166825437) is 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole.
What is the SMILES notation for 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole?
The canonical SMILES for 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole is COCc1ncnn1CC1CC1(F)F.
What is the InChIKey of 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole?
The InChIKey is QDEIQOQTHINEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-14-4-7-11-5-12-13(7)3-6-2-8(6,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole?
1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole has a molecular weight of 203.19 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluorocyclopropyl)methyl]-5-(methoxymethyl)-1,2,4-triazole is sourced from PubChem (CID 166825437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).