1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole

C13H14F3NO — CID 22486113

IUPAC1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole
SMILESC=C1N(C)c2ccc(OC(F)(F)F)cc2C1(C)C
InChIInChI=1S/C13H14F3NO/c1-8-12(2,3)10-7-9(18-13(14,15)16)5-6-11(10)17(8)4/h5-7H,1H2,2-4H3
InChIKeyHMMXOWSIKSUHOZ-UHFFFAOYSA-N
MW257.25 g/mol
LogP3.83
Rot. Bonds1

About 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole

1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole (PubChem CID 22486113) has the molecular formula C13H14F3NO and a molecular weight of 257.25 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole
PubChem CID22486113
Molecular FormulaC13H14F3NO
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole
SMILESC=C1N(C)c2ccc(OC(F)(F)F)cc2C1(C)C
InChIInChI=1S/C13H14F3NO/c1-8-12(2,3)10-7-9(18-13(14,15)16)5-6-11(10)17(8)4/h5-7H,1H2,2-4H3
InChIKeyHMMXOWSIKSUHOZ-UHFFFAOYSA-N
XLogP3.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole?
The IUPAC name of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole (CID 22486113) is 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole.
What is the SMILES notation for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole?
The canonical SMILES for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole is C=C1N(C)c2ccc(OC(F)(F)F)cc2C1(C)C.
What is the InChIKey of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole?
The InChIKey is HMMXOWSIKSUHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3NO/c1-8-12(2,3)10-7-9(18-13(14,15)16)5-6-11(10)17(8)4/h5-7H,1H2,2-4H3.
What are the key properties of 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole?
1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole has a molecular weight of 257.25 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-methylidene-5-(trifluoromethoxy)indole is sourced from PubChem (CID 22486113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).