1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one

C16H14F2N2O2 — CID 122623138

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O2/c1-19-15(21)12-7-3-4-8-13(12)20(19)10-11-6-2-5-9-14(11)22-16(17)18/h2-9,16H,10H2,1H3
InChIKeyFGCWBKLSSBTODI-UHFFFAOYSA-N
MW304.30 g/mol
LogP2.99
Rot. Bonds4

About 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one

1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one (PubChem CID 122623138) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one
PubChem CID122623138
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one
SMILESCn1c(=O)c2ccccc2n1Cc1ccccc1OC(F)F
InChIInChI=1S/C16H14F2N2O2/c1-19-15(21)12-7-3-4-8-13(12)20(19)10-11-6-2-5-9-14(11)22-16(17)18/h2-9,16H,10H2,1H3
InChIKeyFGCWBKLSSBTODI-UHFFFAOYSA-N
XLogP2.99
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one (CID 122623138) is 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one is Cn1c(=O)c2ccccc2n1Cc1ccccc1OC(F)F.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one?
The InChIKey is FGCWBKLSSBTODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c1-19-15(21)12-7-3-4-8-13(12)20(19)10-11-6-2-5-9-14(11)22-16(17)18/h2-9,16H,10H2,1H3.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one?
1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one has a molecular weight of 304.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-2-methylindazol-3-one is sourced from PubChem (CID 122623138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).