1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol

C15H16ClFN2O — CID 134373657

IUPAC1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol
SMILESC=CC1(F)CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C15H16ClFN2O/c1-2-14(17)3-5-15(20,6-4-14)12-8-11(16)7-10-9-18-19-13(10)12/h2,7-9,20H,1,3-6H2,(H,18,19)
InChIKeyGWKFTXAAZVPPKW-UHFFFAOYSA-N
MW294.76 g/mol
LogP3.87
Rot. Bonds2

About 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol

1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol (PubChem CID 134373657) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol
PubChem CID134373657
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC Name1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol
SMILESC=CC1(F)CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1
InChIInChI=1S/C15H16ClFN2O/c1-2-14(17)3-5-15(20,6-4-14)12-8-11(16)7-10-9-18-19-13(10)12/h2,7-9,20H,1,3-6H2,(H,18,19)
InChIKeyGWKFTXAAZVPPKW-UHFFFAOYSA-N
XLogP3.87
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol?
The IUPAC name of 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol (CID 134373657) is 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol.
What is the SMILES notation for 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol?
The canonical SMILES for 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol is C=CC1(F)CCC(O)(c2cc(Cl)cc3cn[nH]c23)CC1.
What is the InChIKey of 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol?
The InChIKey is GWKFTXAAZVPPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-2-14(17)3-5-15(20,6-4-14)12-8-11(16)7-10-9-18-19-13(10)12/h2,7-9,20H,1,3-6H2,(H,18,19).
What are the key properties of 1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol?
1-(5-chloro-1H-indazol-7-yl)-4-ethenyl-4-fluorocyclohexan-1-ol has a molecular weight of 294.76 g/mol, XLogP of 3.87, 2 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)-4-ethenyl-4-fluorocyclohexan-1-ol is sourced from PubChem (CID 134373657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).