3-chloro-1-(1,1-difluoroprop-2-enyl)indazole

C10H7ClF2N2 — CID 162419879

IUPAC3-chloro-1-(1,1-difluoroprop-2-enyl)indazole
SMILESC=CC(F)(F)n1nc(Cl)c2ccccc21
InChIInChI=1S/C10H7ClF2N2/c1-2-10(12,13)15-8-6-4-3-5-7(8)9(11)14-15/h2-6H,1H2
InChIKeyGZUKMMHSWGMGSO-UHFFFAOYSA-N
MW228.63 g/mol
LogP3.42
Rot. Bonds2

About 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole

3-chloro-1-(1,1-difluoroprop-2-enyl)indazole (PubChem CID 162419879) has the molecular formula C10H7ClF2N2 and a molecular weight of 228.63 g/mol. Its IUPAC name is 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole.

Molecular Properties

Compound Name3-chloro-1-(1,1-difluoroprop-2-enyl)indazole
PubChem CID162419879
Molecular FormulaC10H7ClF2N2
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name3-chloro-1-(1,1-difluoroprop-2-enyl)indazole
SMILESC=CC(F)(F)n1nc(Cl)c2ccccc21
InChIInChI=1S/C10H7ClF2N2/c1-2-10(12,13)15-8-6-4-3-5-7(8)9(11)14-15/h2-6H,1H2
InChIKeyGZUKMMHSWGMGSO-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 53.42
H-Bond Donors ≤ 50
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 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole?
The IUPAC name of 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole (CID 162419879) is 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole.
What is the SMILES notation for 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole?
The canonical SMILES for 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole is C=CC(F)(F)n1nc(Cl)c2ccccc21.
What is the InChIKey of 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole?
The InChIKey is GZUKMMHSWGMGSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF2N2/c1-2-10(12,13)15-8-6-4-3-5-7(8)9(11)14-15/h2-6H,1H2.
What are the key properties of 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole?
3-chloro-1-(1,1-difluoroprop-2-enyl)indazole has a molecular weight of 228.63 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1,1-difluoroprop-2-enyl)indazole is sourced from PubChem (CID 162419879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).