9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole

C17H14F3NO — CID 122385564

IUPAC9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2C1CCCO1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-7-8-15-13(10-11)12-4-1-2-5-14(12)21(15)16-6-3-9-22-16/h1-2,4-5,7-8,10,16H,3,6,9H2
InChIKeyDCXRXHGYGUFJTM-UHFFFAOYSA-N
MW305.30 g/mol
LogP5.12
Rot. Bonds1

About 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole

9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole (PubChem CID 122385564) has the molecular formula C17H14F3NO and a molecular weight of 305.30 g/mol. Its IUPAC name is 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole.

Molecular Properties

Compound Name9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole
PubChem CID122385564
Molecular FormulaC17H14F3NO
Molecular Weight305.30 g/mol
Exact Mass305.10
IUPAC Name9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole
SMILESFC(F)(F)c1ccc2c(c1)c1ccccc1n2C1CCCO1
InChIInChI=1S/C17H14F3NO/c18-17(19,20)11-7-8-15-13(10-11)12-4-1-2-5-14(12)21(15)16-6-3-9-22-16/h1-2,4-5,7-8,10,16H,3,6,9H2
InChIKeyDCXRXHGYGUFJTM-UHFFFAOYSA-N
XLogP5.12
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.30
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole?
The IUPAC name of 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole (CID 122385564) is 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole.
What is the SMILES notation for 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole?
The canonical SMILES for 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole is FC(F)(F)c1ccc2c(c1)c1ccccc1n2C1CCCO1.
What is the InChIKey of 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole?
The InChIKey is DCXRXHGYGUFJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3NO/c18-17(19,20)11-7-8-15-13(10-11)12-4-1-2-5-14(12)21(15)16-6-3-9-22-16/h1-2,4-5,7-8,10,16H,3,6,9H2.
What are the key properties of 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole?
9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole has a molecular weight of 305.30 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(oxolan-2-yl)-3-(trifluoromethyl)carbazole is sourced from PubChem (CID 122385564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).