1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol

C15H15ClF4N2O — CID 134373515

IUPAC1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol
SMILESCC(F)(F)C1(C(C)(F)F)CC(O)(c2cc(Cl)cc3cn[nH]c23)C1
InChIInChI=1S/C15H15ClF4N2O/c1-12(17,18)15(13(2,19)20)6-14(23,7-15)10-4-9(16)3-8-5-21-22-11(8)10/h3-5,23H,6-7H2,1-2H3,(H,21,22)
InChIKeyYGYYSHSBYZKOLE-UHFFFAOYSA-N
MW350.74 g/mol
LogP4.49
Rot. Bonds3

About 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol

1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol (PubChem CID 134373515) has the molecular formula C15H15ClF4N2O and a molecular weight of 350.74 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol
PubChem CID134373515
Molecular FormulaC15H15ClF4N2O
Molecular Weight350.74 g/mol
Exact Mass350.08
IUPAC Name1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol
SMILESCC(F)(F)C1(C(C)(F)F)CC(O)(c2cc(Cl)cc3cn[nH]c23)C1
InChIInChI=1S/C15H15ClF4N2O/c1-12(17,18)15(13(2,19)20)6-14(23,7-15)10-4-9(16)3-8-5-21-22-11(8)10/h3-5,23H,6-7H2,1-2H3,(H,21,22)
InChIKeyYGYYSHSBYZKOLE-UHFFFAOYSA-N
XLogP4.49
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.74
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol (CID 134373515) is 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol is CC(F)(F)C1(C(C)(F)F)CC(O)(c2cc(Cl)cc3cn[nH]c23)C1.
What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol?
The InChIKey is YGYYSHSBYZKOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClF4N2O/c1-12(17,18)15(13(2,19)20)6-14(23,7-15)10-4-9(16)3-8-5-21-22-11(8)10/h3-5,23H,6-7H2,1-2H3,(H,21,22).
What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol?
1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol has a molecular weight of 350.74 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indazol-7-yl)-3,3-bis(1,1-difluoroethyl)cyclobutan-1-ol is sourced from PubChem (CID 134373515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).