7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one

C14H13F3N2O — CID 166930970

IUPAC7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one
SMILESO=C1c2ccc3[nH]ncc3c2CCCC1CC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)6-8-2-1-3-9-10(13(8)20)4-5-12-11(9)7-18-19-12/h4-5,7-8H,1-3,6H2,(H,18,19)
InChIKeyIACMZPIAIFQOLV-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.65
Rot. Bonds1

About 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one

7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one (PubChem CID 166930970) has the molecular formula C14H13F3N2O and a molecular weight of 282.26 g/mol. Its IUPAC name is 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one.

Molecular Properties

Compound Name7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one
PubChem CID166930970
Molecular FormulaC14H13F3N2O
Molecular Weight282.26 g/mol
Exact Mass282.10
IUPAC Name7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one
SMILESO=C1c2ccc3[nH]ncc3c2CCCC1CC(F)(F)F
InChIInChI=1S/C14H13F3N2O/c15-14(16,17)6-8-2-1-3-9-10(13(8)20)4-5-12-11(9)7-18-19-12/h4-5,7-8H,1-3,6H2,(H,18,19)
InChIKeyIACMZPIAIFQOLV-UHFFFAOYSA-N
XLogP3.65
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one with MolForge

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Related Compounds

3,6,7,8-tetrahydrocyclopenta[e]indazole
CID 59145851
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CID 143519590
3-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]pentan-3-amine
CID 54669968
ethyl 4-(5-methyl-1H-indazol-4-yl)-2-oxocyclohexane-1-carboxylate
CID 139388584
N-[(5-cyclopropyl-1H-indazol-4-yl)methyl]-3-fluoro-4-(trifluoromethyl)benzamide
CID 137453579
2-[6-(4-cyclopropyl-1H-indazol-5-yl)-3-pyridinyl]propan-2-amine;trihydrochloride
CID 23134645
2-[6-[4-(cyclopropylmethoxy)-1H-indazol-5-yl]-3-pyridinyl]propan-2-amine
CID 11163064
7-(2H-triazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
CID 150584799
2-(7-ethyl-3,8,9,10-tetrahydrocyclohepta[e]indazol-6-yl)-N-[1-(3-fluoropropyl)azetidin-3-yl]pyrimidin-5-amine
CID 170058909
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
(7R,8S)-8-(2-iodopropyl)-6-(trifluoromethyl)-3,7,8,9,9a,10-hexahydroindeno[2,1-e]indazol-7-ol
CID 89339998

Frequently Asked Questions

What is the IUPAC name of 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one?
The IUPAC name of 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one (CID 166930970) is 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one.
What is the SMILES notation for 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one?
The canonical SMILES for 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one is O=C1c2ccc3[nH]ncc3c2CCCC1CC(F)(F)F.
What is the InChIKey of 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one?
The InChIKey is IACMZPIAIFQOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O/c15-14(16,17)6-8-2-1-3-9-10(13(8)20)4-5-12-11(9)7-18-19-12/h4-5,7-8H,1-3,6H2,(H,18,19).
What are the key properties of 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one?
7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one has a molecular weight of 282.26 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,2,2-trifluoroethyl)-7,8,9,10-tetrahydro-3H-cyclohepta[e]indazol-6-one is sourced from PubChem (CID 166930970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).