ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole

C13H15F5N2 — CID 170588792

IUPACethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
SMILESCC.CCc1c(F)cc2cnn(CC(F)(F)F)c2c1F
InChIInChI=1S/C11H9F5N2.C2H6/c1-2-7-8(12)3-6-4-17-18(5-11(14,15)16)10(6)9(7)13;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyFUXJQCPEMXJEBA-UHFFFAOYSA-N
MW294.27 g/mol
LogP4.47
Rot. Bonds2

About ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole

ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole (PubChem CID 170588792) has the molecular formula C13H15F5N2 and a molecular weight of 294.27 g/mol. Its IUPAC name is ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole.

Molecular Properties

Compound Nameethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
PubChem CID170588792
Molecular FormulaC13H15F5N2
Molecular Weight294.27 g/mol
Exact Mass294.12
IUPAC Nameethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole
SMILESCC.CCc1c(F)cc2cnn(CC(F)(F)F)c2c1F
InChIInChI=1S/C11H9F5N2.C2H6/c1-2-7-8(12)3-6-4-17-18(5-11(14,15)16)10(6)9(7)13;1-2/h3-4H,2,5H2,1H3;1-2H3
InChIKeyFUXJQCPEMXJEBA-UHFFFAOYSA-N
XLogP4.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?
The IUPAC name of ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole (CID 170588792) is ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole.
What is the SMILES notation for ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?
The canonical SMILES for ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole is CC.CCc1c(F)cc2cnn(CC(F)(F)F)c2c1F.
What is the InChIKey of ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?
The InChIKey is FUXJQCPEMXJEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F5N2.C2H6/c1-2-7-8(12)3-6-4-17-18(5-11(14,15)16)10(6)9(7)13;1-2/h3-4H,2,5H2,1H3;1-2H3.
What are the key properties of ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole?
ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole has a molecular weight of 294.27 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethyl-5,7-difluoro-1-(2,2,2-trifluoroethyl)indazole is sourced from PubChem (CID 170588792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).