1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol

C22H16F6N2O — CID 11619011

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol
SMILESCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccc2ccccc2n1
InChIInChI=1S/C22H16F6N2O/c1-13-10-15-11-16(20(31,21(23,24)25)22(26,27)28)7-9-19(15)30(13)12-17-8-6-14-4-2-3-5-18(14)29-17/h2-11,31H,12H2,1H3
InChIKeyJCFQQNHUGRMEDS-UHFFFAOYSA-N
MW438.37 g/mol
LogP5.86
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol (PubChem CID 11619011) has the molecular formula C22H16F6N2O and a molecular weight of 438.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol
PubChem CID11619011
Molecular FormulaC22H16F6N2O
Molecular Weight438.37 g/mol
Exact Mass438.12
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol
SMILESCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccc2ccccc2n1
InChIInChI=1S/C22H16F6N2O/c1-13-10-15-11-16(20(31,21(23,24)25)22(26,27)28)7-9-19(15)30(13)12-17-8-6-14-4-2-3-5-18(14)29-17/h2-11,31H,12H2,1H3
InChIKeyJCFQQNHUGRMEDS-UHFFFAOYSA-N
XLogP5.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.37
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol with MolForge

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Related Compounds

(9-Ethylcarbazol-3-yl)-(4-methylnaphthalen-1-yl)methanol
CID 145991252
1-[9-Methyl-6-[methyl-(2-methylquinolin-4-yl)amino]carbazol-3-yl]ethanol
CID 152213735
1-(4-Fluoro-phenyl)-4-(5-methyl-1,3,4,5-tetrahydro-pyrido[4,3-b]indol-2-yl)-butan-1-ol
CID 44351077
4-(8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)-1-(4-fluorophenyl)butan-1-ol
CID 44372860
[4-[1-(1-Methylindol-5-yl)ethenyl]quinolin-2-yl]methanol
CID 155554830
[1-Ethyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
CID 166628020
8-[1-(2-methylquinolin-4-yl)ethenyl]-3,4-dihydro-1H-[1,4]oxazino[4,3-a]indole
CID 166628425
[1-Methyl-5-[1-(2-methylquinolin-4-yl)ethenyl]indol-2-yl]methanol
CID 166630233
[1-(3,4-Difluorophenyl)-2-(hydroxymethyl)-9-methyl-4,10-dihydroindolizino[6,7-b]indol-3-yl]methanol
CID 71575105
2-(2-Phenylethyl)-3-(trifluoromethyl)-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-6-ol
CID 71715026
[3-(4-Fluorophenyl)-1-(hydroxymethyl)-11-methyl-5,6-dihydroindolizino[8,7-b]indol-2-yl]methanol
CID 137645784
[1-(Hydroxymethyl)-11-methyl-3-phenyl-5,6-dihydroindolizino[8,7-b]indol-2-yl]methanol
CID 137652601

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol (CID 11619011) is 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol is Cc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccc2ccccc2n1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol?
The InChIKey is JCFQQNHUGRMEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F6N2O/c1-13-10-15-11-16(20(31,21(23,24)25)22(26,27)28)7-9-19(15)30(13)12-17-8-6-14-4-2-3-5-18(14)29-17/h2-11,31H,12H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol has a molecular weight of 438.37 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-methyl-1-(quinolin-2-ylmethyl)indol-5-yl]propan-2-ol is sourced from PubChem (CID 11619011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).