1-(2,2-difluoroethyl)-4-methylpyrazole;ethane

C10H20F2N2 — CID 169136137

IUPAC1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
SMILESCC.CC.Cc1cnn(CC(F)F)c1
InChIInChI=1S/C6H8F2N2.2C2H6/c1-5-2-9-10(3-5)4-6(7)8;2*1-2/h2-3,6H,4H2,1H3;2*1-2H3
InChIKeyYDDGKDYZNFQJIK-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.51
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane

1-(2,2-difluoroethyl)-4-methylpyrazole;ethane (PubChem CID 169136137) has the molecular formula C10H20F2N2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
PubChem CID169136137
Molecular FormulaC10H20F2N2
Molecular Weight206.28 g/mol
Exact Mass206.16
IUPAC Name1-(2,2-difluoroethyl)-4-methylpyrazole;ethane
SMILESCC.CC.Cc1cnn(CC(F)F)c1
InChIInChI=1S/C6H8F2N2.2C2H6/c1-5-2-9-10(3-5)4-6(7)8;2*1-2/h2-3,6H,4H2,1H3;2*1-2H3
InChIKeyYDDGKDYZNFQJIK-UHFFFAOYSA-N
XLogP3.51
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane (CID 169136137) is 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane is CC.CC.Cc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane?
The InChIKey is YDDGKDYZNFQJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2.2C2H6/c1-5-2-9-10(3-5)4-6(7)8;2*1-2/h2-3,6H,4H2,1H3;2*1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane?
1-(2,2-difluoroethyl)-4-methylpyrazole;ethane has a molecular weight of 206.28 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylpyrazole;ethane is sourced from PubChem (CID 169136137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).