potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate

C19H17F2KN2O2 — CID 118105192

IUPACpotassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate
SMILESCc1cccc(C)c1Cn1nc(C)c2ccc(C(F)(F)C(=O)[O-])cc21.[K+]
InChIInChI=1S/C19H18F2N2O2.K/c1-11-5-4-6-12(2)16(11)10-23-17-9-14(19(20,21)18(24)25)7-8-15(17)13(3)22-23;/h4-9H,10H2,1-3H3,(H,24,25);/q;+1/p-1
InChIKeyFMWHVLVKWIKQAR-UHFFFAOYSA-M
MW382.45 g/mol
LogP-0.14
Rot. Bonds4

About potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate

potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate (PubChem CID 118105192) has the molecular formula C19H17F2KN2O2 and a molecular weight of 382.45 g/mol. Its IUPAC name is potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate.

Molecular Properties

Compound Namepotassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate
PubChem CID118105192
Molecular FormulaC19H17F2KN2O2
Molecular Weight382.45 g/mol
Exact Mass382.09
IUPAC Namepotassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate
SMILESCc1cccc(C)c1Cn1nc(C)c2ccc(C(F)(F)C(=O)[O-])cc21.[K+]
InChIInChI=1S/C19H18F2N2O2.K/c1-11-5-4-6-12(2)16(11)10-23-17-9-14(19(20,21)18(24)25)7-8-15(17)13(3)22-23;/h4-9H,10H2,1-3H3,(H,24,25);/q;+1/p-1
InChIKeyFMWHVLVKWIKQAR-UHFFFAOYSA-M
XLogP-0.14
TPSA57.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.45
LogP ≤ 5-0.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate?
The IUPAC name of potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate (CID 118105192) is potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate.
What is the SMILES notation for potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate?
The canonical SMILES for potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate is Cc1cccc(C)c1Cn1nc(C)c2ccc(C(F)(F)C(=O)[O-])cc21.[K+].
What is the InChIKey of potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate?
The InChIKey is FMWHVLVKWIKQAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H18F2N2O2.K/c1-11-5-4-6-12(2)16(11)10-23-17-9-14(19(20,21)18(24)25)7-8-15(17)13(3)22-23;/h4-9H,10H2,1-3H3,(H,24,25);/q;+1/p-1.
What are the key properties of potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate?
potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate has a molecular weight of 382.45 g/mol, XLogP of -0.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-[1-[(2,6-dimethylphenyl)methyl]-3-methylindazol-6-yl]-2,2-difluoroacetate is sourced from PubChem (CID 118105192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).