(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol

C13H12ClF3N2O — CID 134368040

IUPAC(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(C(O)c2cc(Cl)c(F)c3cn[nH]c23)CC(F)(F)C1
InChIInChI=1S/C13H12ClF3N2O/c1-12(4-13(16,17)5-12)11(20)6-2-8(14)9(15)7-3-18-19-10(6)7/h2-3,11,20H,4-5H2,1H3,(H,18,19)
InChIKeyJCDYOJLEEZJNEO-UHFFFAOYSA-N
MW304.70 g/mol
LogP3.82
Rot. Bonds2

About (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol

(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol (PubChem CID 134368040) has the molecular formula C13H12ClF3N2O and a molecular weight of 304.70 g/mol. Its IUPAC name is (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol.

Molecular Properties

Compound Name(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
PubChem CID134368040
Molecular FormulaC13H12ClF3N2O
Molecular Weight304.70 g/mol
Exact Mass304.06
IUPAC Name(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol
SMILESCC1(C(O)c2cc(Cl)c(F)c3cn[nH]c23)CC(F)(F)C1
InChIInChI=1S/C13H12ClF3N2O/c1-12(4-13(16,17)5-12)11(20)6-2-8(14)9(15)7-3-18-19-10(6)7/h2-3,11,20H,4-5H2,1H3,(H,18,19)
InChIKeyJCDYOJLEEZJNEO-UHFFFAOYSA-N
XLogP3.82
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 ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The IUPAC name of (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol (CID 134368040) is (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol.
What is the SMILES notation for (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The canonical SMILES for (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol is CC1(C(O)c2cc(Cl)c(F)c3cn[nH]c23)CC(F)(F)C1.
What is the InChIKey of (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
The InChIKey is JCDYOJLEEZJNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3N2O/c1-12(4-13(16,17)5-12)11(20)6-2-8(14)9(15)7-3-18-19-10(6)7/h2-3,11,20H,4-5H2,1H3,(H,18,19).
What are the key properties of (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol?
(5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol has a molecular weight of 304.70 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-fluoro-1H-indazol-7-yl)-(3,3-difluoro-1-methylcyclobutyl)methanol is sourced from PubChem (CID 134368040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).