(2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol

C19H17F6NO2 — CID 127050169

IUPAC(2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol
SMILESCC1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H17F6NO2/c1-17(12-5-4-6-13(9-12)28-19(23,24)25)11-26(10-16(27)18(20,21)22)15-8-3-2-7-14(15)17/h2-9,16,27H,10-11H2,1H3/t16-,17?/m1/s1
InChIKeyBPDCKUXKVHRNED-TZHYSIJRSA-N
MW405.34 g/mol
LogP4.63
Rot. Bonds4

About (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol

(2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol (PubChem CID 127050169) has the molecular formula C19H17F6NO2 and a molecular weight of 405.34 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol
PubChem CID127050169
Molecular FormulaC19H17F6NO2
Molecular Weight405.34 g/mol
Exact Mass405.12
IUPAC Name(2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol
SMILESCC1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21
InChIInChI=1S/C19H17F6NO2/c1-17(12-5-4-6-13(9-12)28-19(23,24)25)11-26(10-16(27)18(20,21)22)15-8-3-2-7-14(15)17/h2-9,16,27H,10-11H2,1H3/t16-,17?/m1/s1
InChIKeyBPDCKUXKVHRNED-TZHYSIJRSA-N
XLogP4.63
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.34
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol (CID 127050169) is (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol is CC1(c2cccc(OC(F)(F)F)c2)CN(C[C@@H](O)C(F)(F)F)c2ccccc21.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol?
The InChIKey is BPDCKUXKVHRNED-TZHYSIJRSA-N. The full InChI is InChI=1S/C19H17F6NO2/c1-17(12-5-4-6-13(9-12)28-19(23,24)25)11-26(10-16(27)18(20,21)22)15-8-3-2-7-14(15)17/h2-9,16,27H,10-11H2,1H3/t16-,17?/m1/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol?
(2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol has a molecular weight of 405.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1,1,1-trifluoro-3-[3-methyl-3-[3-(trifluoromethoxy)phenyl]-2H-indol-1-yl]propan-2-ol is sourced from PubChem (CID 127050169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).