1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol

C13H12ClF3N2O2 — CID 134373861

IUPAC1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol
SMILESOC(c1c(F)c(Cl)cc2cn[nH]c12)C(F)(F)C1(O)CCC1
InChIInChI=1S/C13H12ClF3N2O2/c14-7-4-6-5-18-19-10(6)8(9(7)15)11(20)13(16,17)12(21)2-1-3-12/h4-5,11,20-21H,1-3H2,(H,18,19)
InChIKeyYFFARQAXSNZMRD-UHFFFAOYSA-N
MW320.70 g/mol
LogP2.94
Rot. Bonds3

About 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol

1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol (PubChem CID 134373861) has the molecular formula C13H12ClF3N2O2 and a molecular weight of 320.70 g/mol. Its IUPAC name is 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol
PubChem CID134373861
Molecular FormulaC13H12ClF3N2O2
Molecular Weight320.70 g/mol
Exact Mass320.05
IUPAC Name1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol
SMILESOC(c1c(F)c(Cl)cc2cn[nH]c12)C(F)(F)C1(O)CCC1
InChIInChI=1S/C13H12ClF3N2O2/c14-7-4-6-5-18-19-10(6)8(9(7)15)11(20)13(16,17)12(21)2-1-3-12/h4-5,11,20-21H,1-3H2,(H,18,19)
InChIKeyYFFARQAXSNZMRD-UHFFFAOYSA-N
XLogP2.94
TPSA69.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.70
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol (CID 134373861) is 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol is OC(c1c(F)c(Cl)cc2cn[nH]c12)C(F)(F)C1(O)CCC1.
What is the InChIKey of 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol?
The InChIKey is YFFARQAXSNZMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O2/c14-7-4-6-5-18-19-10(6)8(9(7)15)11(20)13(16,17)12(21)2-1-3-12/h4-5,11,20-21H,1-3H2,(H,18,19).
What are the key properties of 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol?
1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol has a molecular weight of 320.70 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-6-fluoro-1H-indazol-7-yl)-1,1-difluoro-2-hydroxyethyl]cyclobutan-1-ol is sourced from PubChem (CID 134373861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).