2-propan-2-yl-6-(trifluoromethoxy)-3H-indole

C12H12F3NO — CID 157181074

IUPAC2-propan-2-yl-6-(trifluoromethoxy)-3H-indole
SMILESCC(C)C1=Nc2cc(OC(F)(F)F)ccc2C1
InChIInChI=1S/C12H12F3NO/c1-7(2)10-5-8-3-4-9(6-11(8)16-10)17-12(13,14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyAOOOPGOZGWDNNB-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.87
Rot. Bonds2

About 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole

2-propan-2-yl-6-(trifluoromethoxy)-3H-indole (PubChem CID 157181074) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole.

Molecular Properties

Compound Name2-propan-2-yl-6-(trifluoromethoxy)-3H-indole
PubChem CID157181074
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name2-propan-2-yl-6-(trifluoromethoxy)-3H-indole
SMILESCC(C)C1=Nc2cc(OC(F)(F)F)ccc2C1
InChIInChI=1S/C12H12F3NO/c1-7(2)10-5-8-3-4-9(6-11(8)16-10)17-12(13,14)15/h3-4,6-7H,5H2,1-2H3
InChIKeyAOOOPGOZGWDNNB-UHFFFAOYSA-N
XLogP3.87
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 59455097
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CID 59734586
2-methyl-8-(trifluoromethoxy)-4,5-dihydro-1H-1,3-benzodiazepine
CID 143800904
5,6-dichloro-2-[4-(trifluoromethoxy)phenyl]-3H-indole
CID 159546280
2-methylsulfanyl-7-(trifluoromethoxy)-4,5-dihydro-3H-1-benzazepine
CID 118513274
2-N,2-N-dimethyl-6-N-[1-[4-[4-(trifluoromethoxy)phenoxy]phenyl]propyl]-3H-indole-2,6-diamine
CID 146719878
2-bromo-1-methyl-4-(trifluoromethoxy)benzene
CID 54333957
1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 146522036
2-methyl-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58840067
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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole?
The IUPAC name of 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole (CID 157181074) is 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole.
What is the SMILES notation for 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole?
The canonical SMILES for 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole is CC(C)C1=Nc2cc(OC(F)(F)F)ccc2C1.
What is the InChIKey of 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole?
The InChIKey is AOOOPGOZGWDNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7(2)10-5-8-3-4-9(6-11(8)16-10)17-12(13,14)15/h3-4,6-7H,5H2,1-2H3.
What are the key properties of 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole?
2-propan-2-yl-6-(trifluoromethoxy)-3H-indole has a molecular weight of 243.23 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-(trifluoromethoxy)-3H-indole is sourced from PubChem (CID 157181074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).