1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole

C10H11F5N2 — CID 118357708

IUPAC1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole
SMILESCCn1nc(C(F)(F)F)c2c1C(F)(F)CCC2
InChIInChI=1S/C10H11F5N2/c1-2-17-8-6(4-3-5-9(8,11)12)7(16-17)10(13,14)15/h2-5H2,1H3
InChIKeyMPFMZBMZFOOLSX-UHFFFAOYSA-N
MW254.20 g/mol
LogP3.35
Rot. Bonds1

About 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole

1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole (PubChem CID 118357708) has the molecular formula C10H11F5N2 and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole.

Molecular Properties

Compound Name1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole
PubChem CID118357708
Molecular FormulaC10H11F5N2
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole
SMILESCCn1nc(C(F)(F)F)c2c1C(F)(F)CCC2
InChIInChI=1S/C10H11F5N2/c1-2-17-8-6(4-3-5-9(8,11)12)7(16-17)10(13,14)15/h2-5H2,1H3
InChIKeyMPFMZBMZFOOLSX-UHFFFAOYSA-N
XLogP3.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 788042
3-ethynyl-1-methyl-4,5,6,7-tetrahydro-1H-indazole
CID 145769935
3-(3-(Trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)propanenitrile
CID 19576796
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazole
CID 12031296
3-ethynyl-2-methyl-4,5,6,7-tetrahydro-2H-indazole
CID 126838928
1-(1-methyl-4,5,6,7-tetrahydro-1H-indazol-3-yl)methanamine hydrochloride
CID 165946402
(2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-yl)methanamine
CID 83383904
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-1-methyl-4,5,6,7-tetrahydroindazole
CID 12031300
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-2-methyl-4,5,6,7-tetrahydroindazole
CID 12031302
4-(2-(2,2,2-Trifluoroethyl)-4,5,6,7-tetrahydro-(2H)-indazol-3-yl)piperidine
CID 21912779
1-Methyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-1h-pyrazolo[4,3-c]pyridine
CID 45096966
5-Amino-4,5,6,7-tetrahydro-1-methyl-3-trifluoromethyl-1H-indazole
CID 53406962

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
The IUPAC name of 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole (CID 118357708) is 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole.
What is the SMILES notation for 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
The canonical SMILES for 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole is CCn1nc(C(F)(F)F)c2c1C(F)(F)CCC2.
What is the InChIKey of 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
The InChIKey is MPFMZBMZFOOLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F5N2/c1-2-17-8-6(4-3-5-9(8,11)12)7(16-17)10(13,14)15/h2-5H2,1H3.
What are the key properties of 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole?
1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole has a molecular weight of 254.20 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7,7-difluoro-3-(trifluoromethyl)-5,6-dihydro-4H-indazole is sourced from PubChem (CID 118357708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).