(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol

C13H12ClF3N2O — CID 134373383

IUPAC(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1
InChIInChI=1S/C13H12ClF3N2O/c14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h4-6,11,20H,1-3H2,(H,18,19)
InChIKeySBKKCZIHYBXJFA-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.98
Rot. Bonds2

About (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol

(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol (PubChem CID 134373383) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol.

Molecular Properties

Compound Name(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
PubChem CID134373383
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol
SMILESOC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1
InChIInChI=1S/C13H12ClF3N2O/c14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h4-6,11,20H,1-3H2,(H,18,19)
InChIKeySBKKCZIHYBXJFA-UHFFFAOYSA-N
XLogP3.98
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.70
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
The IUPAC name of (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol (CID 134373383) is (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol.
What is the SMILES notation for (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
The canonical SMILES for (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol is OC(c1cc(Cl)cc2cn[nH]c12)C1(C(F)(F)F)CCC1.
What is the InChIKey of (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
The InChIKey is SBKKCZIHYBXJFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c14-8-4-7-6-18-19-10(7)9(5-8)11(20)12(2-1-3-12)13(15,16)17/h4-6,11,20H,1-3H2,(H,18,19).
What are the key properties of (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol?
(5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol has a molecular weight of 304.70 g/mol, XLogP of 3.98, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-1H-indazol-7-yl)-[1-(trifluoromethyl)cyclobutyl]methanol is sourced from PubChem (CID 134373383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).