9-[[3-(trifluoromethyl)phenyl]methyl]carbazole

C20H14F3N — CID 13283782

IUPAC9-[[3-(trifluoromethyl)phenyl]methyl]carbazole
SMILESFC(F)(F)c1cccc(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C20H14F3N/c21-20(22,23)15-7-5-6-14(12-15)13-24-18-10-3-1-8-16(18)17-9-2-4-11-19(17)24/h1-12H,13H2
InChIKeyYJRNPKRUECQTCQ-UHFFFAOYSA-N
MW325.33 g/mol
LogP5.86
Rot. Bonds2

About 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole

9-[[3-(trifluoromethyl)phenyl]methyl]carbazole (PubChem CID 13283782) has the molecular formula C20H14F3N and a molecular weight of 325.33 g/mol. Its IUPAC name is 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole.

Molecular Properties

Compound Name9-[[3-(trifluoromethyl)phenyl]methyl]carbazole
PubChem CID13283782
Molecular FormulaC20H14F3N
Molecular Weight325.33 g/mol
Exact Mass325.11
IUPAC Name9-[[3-(trifluoromethyl)phenyl]methyl]carbazole
SMILESFC(F)(F)c1cccc(Cn2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C20H14F3N/c21-20(22,23)15-7-5-6-14(12-15)13-24-18-10-3-1-8-16(18)17-9-2-4-11-19(17)24/h1-12H,13H2
InChIKeyYJRNPKRUECQTCQ-UHFFFAOYSA-N
XLogP5.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.33
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole?
The IUPAC name of 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole (CID 13283782) is 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole.
What is the SMILES notation for 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole?
The canonical SMILES for 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole is FC(F)(F)c1cccc(Cn2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole?
The InChIKey is YJRNPKRUECQTCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F3N/c21-20(22,23)15-7-5-6-14(12-15)13-24-18-10-3-1-8-16(18)17-9-2-4-11-19(17)24/h1-12H,13H2.
What are the key properties of 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole?
9-[[3-(trifluoromethyl)phenyl]methyl]carbazole has a molecular weight of 325.33 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[3-(trifluoromethyl)phenyl]methyl]carbazole is sourced from PubChem (CID 13283782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).