1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole

C9H14F2N2O — CID 166770809

IUPAC1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole
SMILESCc1cn(CC(F)F)nc1OC(C)C
InChIInChI=1S/C9H14F2N2O/c1-6(2)14-9-7(3)4-13(12-9)5-8(10)11/h4,6,8H,5H2,1-3H3
InChIKeyMVDLSSLAOIJSTF-UHFFFAOYSA-N
MW204.22 g/mol
LogP2.24
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole

1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole (PubChem CID 166770809) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole
PubChem CID166770809
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole
SMILESCc1cn(CC(F)F)nc1OC(C)C
InChIInChI=1S/C9H14F2N2O/c1-6(2)14-9-7(3)4-13(12-9)5-8(10)11/h4,6,8H,5H2,1-3H3
InChIKeyMVDLSSLAOIJSTF-UHFFFAOYSA-N
XLogP2.24
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole (CID 166770809) is 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole is Cc1cn(CC(F)F)nc1OC(C)C.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole?
The InChIKey is MVDLSSLAOIJSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c1-6(2)14-9-7(3)4-13(12-9)5-8(10)11/h4,6,8H,5H2,1-3H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole?
1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole has a molecular weight of 204.22 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methyl-3-propan-2-yloxypyrazole is sourced from PubChem (CID 166770809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).