(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one

C16H9F6NO2 — CID 166821092

IUPAC(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(cccc2C(F)(F)F)[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H9F6NO2/c17-15(18,19)11-3-1-2-10-12(14(24)23-13(10)11)8-4-6-9(7-5-8)25-16(20,21)22/h1-7,12H,(H,23,24)/t12-/m1/s1
InChIKeyUEXYJMRTIRHPRK-GFCCVEGCSA-N
MW361.24 g/mol
LogP4.69
Rot. Bonds2

About (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one

(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one (PubChem CID 166821092) has the molecular formula C16H9F6NO2 and a molecular weight of 361.24 g/mol. Its IUPAC name is (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
PubChem CID166821092
Molecular FormulaC16H9F6NO2
Molecular Weight361.24 g/mol
Exact Mass361.05
IUPAC Name(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2c(cccc2C(F)(F)F)[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H9F6NO2/c17-15(18,19)11-3-1-2-10-12(14(24)23-13(10)11)8-4-6-9(7-5-8)25-16(20,21)22/h1-7,12H,(H,23,24)/t12-/m1/s1
InChIKeyUEXYJMRTIRHPRK-GFCCVEGCSA-N
XLogP4.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one (CID 166821092) is (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one is O=C1Nc2c(cccc2C(F)(F)F)[C@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
The InChIKey is UEXYJMRTIRHPRK-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H9F6NO2/c17-15(18,19)11-3-1-2-10-12(14(24)23-13(10)11)8-4-6-9(7-5-8)25-16(20,21)22/h1-7,12H,(H,23,24)/t12-/m1/s1.
What are the key properties of (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one?
(3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one has a molecular weight of 361.24 g/mol, XLogP of 4.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[4-(trifluoromethoxy)phenyl]-7-(trifluoromethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 166821092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).