3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole

C11H12F6N2 — CID 89370018

IUPAC3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole
SMILESCCCn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C11H12F6N2/c1-2-5-19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17/h9H,2-5H2,1H3
InChIKeyOPHZOMWXZQRNAW-UHFFFAOYSA-N
MW286.22 g/mol
LogP4.21
Rot. Bonds3

About 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole

3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole (PubChem CID 89370018) has the molecular formula C11H12F6N2 and a molecular weight of 286.22 g/mol. Its IUPAC name is 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole.

Molecular Properties

Compound Name3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole
PubChem CID89370018
Molecular FormulaC11H12F6N2
Molecular Weight286.22 g/mol
Exact Mass286.09
IUPAC Name3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole
SMILESCCCn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F
InChIInChI=1S/C11H12F6N2/c1-2-5-19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17/h9H,2-5H2,1H3
InChIKeyOPHZOMWXZQRNAW-UHFFFAOYSA-N
XLogP4.21
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.22
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-(difluoromethyl)-1-propylpyrazole-4-carbonitrile
CID 63789510
(4R)-4-[5-bromo-2-(dimethylamino)pyrimidin-4-yl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one
CID 157157468
5-bromo-6-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]pyridine-2-carboxamide
CID 159671734
9-(difluoromethyl)-7-ethyl-5,5-difluoro-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 142466499
N-[(1S)-1-[5-bromo-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 90281487
9-(difluoromethyl)-7-ethyl-5-fluoro-5-(fluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene
CID 142466262
N-[(1S)-1-[5-bromo-2-[2-(2-methoxyethoxy)ethylamino]pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 90281318
4-(bromomethyl)-5-chloro-3-(difluoromethyl)-1-ethylpyrazole
CID 153366265
5-[2-[1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 90150353
N-[(1S)-1-[5-(3-amino-1-methylindazol-7-yl)-2-(3-hydroxy-3-methylbut-1-ynyl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 90385622
2-[3-(difluoromethyl)-4,4,7-trifluoro-7-methyl-5,6-dihydroindazol-1-yl]-N-[2-(3,5-difluorophenyl)-1-[3-(2-oxo-1H-quinolin-7-yl)-2-pyridinyl]ethyl]acetamide
CID 123191093
N-[(1S)-1-[3-[4-chloro-3-(methanesulfinamido)-1-methylindazol-7-yl]-6-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethynyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetamide
CID 145080503

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole?
The IUPAC name of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole (CID 89370018) is 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole.
What is the SMILES notation for 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole?
The canonical SMILES for 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole is CCCn1nc(C(F)F)c2c1C(F)(F)CCC2(F)F.
What is the InChIKey of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole?
The InChIKey is OPHZOMWXZQRNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6N2/c1-2-5-19-8-6(7(18-19)9(12)13)10(14,15)3-4-11(8,16)17/h9H,2-5H2,1H3.
What are the key properties of 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole?
3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole has a molecular weight of 286.22 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4,4,7,7-tetrafluoro-1-propyl-5,6-dihydroindazole is sourced from PubChem (CID 89370018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).