2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol

C19H13F3N2O — CID 71674212

IUPAC2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol
SMILESOC(c1ccc2n(-c3ccccc3)nc3ccccc3c1-2)C(F)(F)F
InChIInChI=1S/C19H13F3N2O/c20-19(21,22)18(25)14-10-11-16-17(14)13-8-4-5-9-15(13)23-24(16)12-6-2-1-3-7-12/h1-11,18,25H
InChIKeyLAPUZOXCHXPOGM-UHFFFAOYSA-N
MW342.32 g/mol
LogP4.73
Rot. Bonds2

About 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol

2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol (PubChem CID 71674212) has the molecular formula C19H13F3N2O and a molecular weight of 342.32 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol
PubChem CID71674212
Molecular FormulaC19H13F3N2O
Molecular Weight342.32 g/mol
Exact Mass342.10
IUPAC Name2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol
SMILESOC(c1ccc2n(-c3ccccc3)nc3ccccc3c1-2)C(F)(F)F
InChIInChI=1S/C19H13F3N2O/c20-19(21,22)18(25)14-10-11-16-17(14)13-8-4-5-9-15(13)23-24(16)12-6-2-1-3-7-12/h1-11,18,25H
InChIKeyLAPUZOXCHXPOGM-UHFFFAOYSA-N
XLogP4.73
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.32
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-phenylcyclopenta[c]cinnoline
CID 12572463
3-tert-butyl-2-phenylindazole
CID 21044962
4-fluoro-1,5-diphenyl-3-(trifluoromethyl)pyrazole
CID 10990409
1-bromo-3-chloro-4-phenylcyclopenta[c]cinnoline
CID 71674113
3-(2,2-dimethylpropyl)-2-phenylindazole
CID 25217909
2,2,2-trifluoro-1-[2-(3-phenylpyrazol-1-yl)phenyl]ethanol
CID 66743644
3-benzyl-2-phenylindazole
CID 25217782
(1S)-2,2,2-trifluoro-1-phenylethanol
CID 1472401
2,6-dimethyl-4-(3-phenylindazol-2-yl)phenol
CID 102113609
2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397
(2S)-3-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 6976085
(1R)-1-(1-benzothiophen-3-yl)-2,2,2-trifluoroethanol
CID 71757522

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol (CID 71674212) is 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol is OC(c1ccc2n(-c3ccccc3)nc3ccccc3c1-2)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol?
The InChIKey is LAPUZOXCHXPOGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O/c20-19(21,22)18(25)14-10-11-16-17(14)13-8-4-5-9-15(13)23-24(16)12-6-2-1-3-7-12/h1-11,18,25H.
What are the key properties of 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol?
2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol has a molecular weight of 342.32 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-phenylcyclopenta[c]cinnolin-1-yl)ethanol is sourced from PubChem (CID 71674212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).