3-methoxy-9-(trifluoromethyl)carbazole

C14H10F3NO — CID 153297232

IUPAC3-methoxy-9-(trifluoromethyl)carbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2C(F)(F)F
InChIInChI=1S/C14H10F3NO/c1-19-9-6-7-13-11(8-9)10-4-2-3-5-12(10)18(13)14(15,16)17/h2-8H,1H3
InChIKeyMIVVMPCXKGBBFX-UHFFFAOYSA-N
MW265.23 g/mol
LogP4.28
Rot. Bonds1

About 3-methoxy-9-(trifluoromethyl)carbazole

3-methoxy-9-(trifluoromethyl)carbazole (PubChem CID 153297232) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is 3-methoxy-9-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name3-methoxy-9-(trifluoromethyl)carbazole
PubChem CID153297232
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC Name3-methoxy-9-(trifluoromethyl)carbazole
SMILESCOc1ccc2c(c1)c1ccccc1n2C(F)(F)F
InChIInChI=1S/C14H10F3NO/c1-19-9-6-7-13-11(8-9)10-4-2-3-5-12(10)18(13)14(15,16)17/h2-8H,1H3
InChIKeyMIVVMPCXKGBBFX-UHFFFAOYSA-N
XLogP4.28
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-9-(trifluoromethyl)carbazole?
The IUPAC name of 3-methoxy-9-(trifluoromethyl)carbazole (CID 153297232) is 3-methoxy-9-(trifluoromethyl)carbazole.
What is the SMILES notation for 3-methoxy-9-(trifluoromethyl)carbazole?
The canonical SMILES for 3-methoxy-9-(trifluoromethyl)carbazole is COc1ccc2c(c1)c1ccccc1n2C(F)(F)F.
What is the InChIKey of 3-methoxy-9-(trifluoromethyl)carbazole?
The InChIKey is MIVVMPCXKGBBFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO/c1-19-9-6-7-13-11(8-9)10-4-2-3-5-12(10)18(13)14(15,16)17/h2-8H,1H3.
What are the key properties of 3-methoxy-9-(trifluoromethyl)carbazole?
3-methoxy-9-(trifluoromethyl)carbazole has a molecular weight of 265.23 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-9-(trifluoromethyl)carbazole is sourced from PubChem (CID 153297232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).