(10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole

C15H12F4N2 — CID 143519590

IUPAC(10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole
SMILESF[C@H]1c2c(ccc3[nH]ncc23)C2=C(C(F)(F)F)CCCC21
InChIInChI=1S/C15H12F4N2/c16-14-8-2-1-3-10(15(17,18)19)12(8)7-4-5-11-9(13(7)14)6-20-21-11/h4-6,8,14H,1-3H2,(H,20,21)/t8?,14-/m1/s1
InChIKeyJTQVZVOAKSSHFH-NVDIHYKVSA-N
MW296.27 g/mol
LogP4.70
Rot. Bonds

About (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole

(10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole (PubChem CID 143519590) has the molecular formula C15H12F4N2 and a molecular weight of 296.27 g/mol. Its IUPAC name is (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole.

Molecular Properties

Compound Name(10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole
PubChem CID143519590
Molecular FormulaC15H12F4N2
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name(10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole
SMILESF[C@H]1c2c(ccc3[nH]ncc23)C2=C(C(F)(F)F)CCCC21
InChIInChI=1S/C15H12F4N2/c16-14-8-2-1-3-10(15(17,18)19)12(8)7-4-5-11-9(13(7)14)6-20-21-11/h4-6,8,14H,1-3H2,(H,20,21)/t8?,14-/m1/s1
InChIKeyJTQVZVOAKSSHFH-NVDIHYKVSA-N
XLogP4.70
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole with MolForge

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Related Compounds

7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one
CID 166930970
(1R,2R,14S,15R)-2-fluoro-13-(trifluoromethyl)-6,7-diazapentacyclo[13.2.1.01,12.03,11.04,8]octadeca-3(11),4(8),5,9,12-pentaen-14-ol
CID 24992292
4-cyclopropyl-5-methylsulfanyl-1H-indazole
CID 167157837
5-[3-cyclopropyl-4-(trifluoromethyl)-2H-imidazol-1-yl]-1H-indazole
CID 172744342
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
13-[4-(trifluoromethyl)phenyl]-6,7,12-triazapentacyclo[13.2.1.02,14.03,11.04,8]octadeca-3(11),4(8),5,9-tetraene
CID 169279392
3,6,7,8-tetrahydrocyclopenta[e]indazole
CID 59145851
11-[5-(trifluoromethyl)-1H-pyrazol-4-yl]-4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaene
CID 150409843
2-[(1S,3S)-3-[[4-(trifluoromethyl)-1H-indazol-5-yl]oxy]cyclohexyl]isoindole-1,3-dione
CID 69431517
4-iodo-5-(trifluoromethoxy)-1H-indazole
CID 167294347
CID 174665708
CID 174665708
3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968

Frequently Asked Questions

What is the IUPAC name of (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole?
The IUPAC name of (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole (CID 143519590) is (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole.
What is the SMILES notation for (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole?
The canonical SMILES for (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole is F[C@H]1c2c(ccc3[nH]ncc23)C2=C(C(F)(F)F)CCCC21.
What is the InChIKey of (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole?
The InChIKey is JTQVZVOAKSSHFH-NVDIHYKVSA-N. The full InChI is InChI=1S/C15H12F4N2/c16-14-8-2-1-3-10(15(17,18)19)12(8)7-4-5-11-9(13(7)14)6-20-21-11/h4-6,8,14H,1-3H2,(H,20,21)/t8?,14-/m1/s1.
What are the key properties of (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole?
(10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole has a molecular weight of 296.27 g/mol, XLogP of 4.70, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-fluoro-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazole is sourced from PubChem (CID 143519590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).