3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide

C8H12F2N4O — CID 126792636

IUPAC3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnc(NC(=O)C(C)(C)C(F)F)n1
InChIInChI=1S/C8H12F2N4O/c1-8(2,5(9)10)6(15)12-7-11-4-14(3)13-7/h4-5H,1-3H3,(H,12,13,15)
InChIKeyJBSUJZKJGYEBRS-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.04
Rot. Bonds3

About 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide

3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide (PubChem CID 126792636) has the molecular formula C8H12F2N4O and a molecular weight of 218.21 g/mol. Its IUPAC name is 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide
PubChem CID126792636
Molecular FormulaC8H12F2N4O
Molecular Weight218.21 g/mol
Exact Mass218.10
IUPAC Name3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide
SMILESCn1cnc(NC(=O)C(C)(C)C(F)F)n1
InChIInChI=1S/C8H12F2N4O/c1-8(2,5(9)10)6(15)12-7-11-4-14(3)13-7/h4-5H,1-3H3,(H,12,13,15)
InChIKeyJBSUJZKJGYEBRS-UHFFFAOYSA-N
XLogP1.04
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide (CID 126792636) is 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide is Cn1cnc(NC(=O)C(C)(C)C(F)F)n1.
What is the InChIKey of 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide?
The InChIKey is JBSUJZKJGYEBRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4O/c1-8(2,5(9)10)6(15)12-7-11-4-14(3)13-7/h4-5H,1-3H3,(H,12,13,15).
What are the key properties of 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide?
3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide has a molecular weight of 218.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2,2-dimethyl-N-(1-methyl-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 126792636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).