1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one

C7H5ClF2N2O — CID 166719466

IUPAC1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one
SMILESO=C1c2c(cnn2Cl)CCC1(F)F
InChIInChI=1S/C7H5ClF2N2O/c8-12-5-4(3-11-12)1-2-7(9,10)6(5)13/h3H,1-2H2
InChIKeyCFXYTWXKXOLROT-UHFFFAOYSA-N
MW206.58 g/mol
LogP1.65
Rot. Bonds

About 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one

1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one (PubChem CID 166719466) has the molecular formula C7H5ClF2N2O and a molecular weight of 206.58 g/mol. Its IUPAC name is 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one.

Molecular Properties

Compound Name1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one
PubChem CID166719466
Molecular FormulaC7H5ClF2N2O
Molecular Weight206.58 g/mol
Exact Mass206.01
IUPAC Name1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one
SMILESO=C1c2c(cnn2Cl)CCC1(F)F
InChIInChI=1S/C7H5ClF2N2O/c8-12-5-4(3-11-12)1-2-7(9,10)6(5)13/h3H,1-2H2
InChIKeyCFXYTWXKXOLROT-UHFFFAOYSA-N
XLogP1.65
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.58
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one?
The IUPAC name of 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one (CID 166719466) is 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one.
What is the SMILES notation for 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one?
The canonical SMILES for 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one is O=C1c2c(cnn2Cl)CCC1(F)F.
What is the InChIKey of 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one?
The InChIKey is CFXYTWXKXOLROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N2O/c8-12-5-4(3-11-12)1-2-7(9,10)6(5)13/h3H,1-2H2.
What are the key properties of 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one?
1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one has a molecular weight of 206.58 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-6,6-difluoro-4,5-dihydroindazol-7-one is sourced from PubChem (CID 166719466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).