3-(trifluoromethyl)indolizine

C9H6F3N — CID 134834371

IUPAC3-(trifluoromethyl)indolizine
SMILESFC(F)(F)c1ccc2ccccn12
InChIInChI=1S/C9H6F3N/c10-9(11,12)8-5-4-7-3-1-2-6-13(7)8/h1-6H
InChIKeyCSPNHTGLOGVVQU-UHFFFAOYSA-N
MW185.15 g/mol
LogP2.96
Rot. Bonds

About 3-(trifluoromethyl)indolizine

3-(trifluoromethyl)indolizine (PubChem CID 134834371) has the molecular formula C9H6F3N and a molecular weight of 185.15 g/mol. Its IUPAC name is 3-(trifluoromethyl)indolizine.

Molecular Properties

Compound Name3-(trifluoromethyl)indolizine
PubChem CID134834371
Molecular FormulaC9H6F3N
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name3-(trifluoromethyl)indolizine
SMILESFC(F)(F)c1ccc2ccccn12
InChIInChI=1S/C9H6F3N/c10-9(11,12)8-5-4-7-3-1-2-6-13(7)8/h1-6H
InChIKeyCSPNHTGLOGVVQU-UHFFFAOYSA-N
XLogP2.96
TPSA4.41 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-Pyrrolidinoethyl)pyridine
CID 238317
Indolizine
CID 9230
2-(Difluoromethyl)pyridine
CID 639501
1-Phenylpyrrole
CID 12480
2-Phenylindolizine
CID 96128
Pyrrolo(1,2-a)pyrazine
CID 11018843
2-(4-Methylphenyl)indolizine
CID 346948
5-Methyl-2-phenyl-indolizine
CID 610180
N-(4-fluorophenyl)pyrrole
CID 727844
2-(1H-pyrrol-1-ylmethyl)pyridine
CID 736206
1-Methylpyrrolo(1,2-a)pyrazine
CID 583432
4-Methylpyrrolo[1,2-a]pyrazine
CID 583433

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)indolizine?
The IUPAC name of 3-(trifluoromethyl)indolizine (CID 134834371) is 3-(trifluoromethyl)indolizine.
What is the SMILES notation for 3-(trifluoromethyl)indolizine?
The canonical SMILES for 3-(trifluoromethyl)indolizine is FC(F)(F)c1ccc2ccccn12.
What is the InChIKey of 3-(trifluoromethyl)indolizine?
The InChIKey is CSPNHTGLOGVVQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N/c10-9(11,12)8-5-4-7-3-1-2-6-13(7)8/h1-6H.
What are the key properties of 3-(trifluoromethyl)indolizine?
3-(trifluoromethyl)indolizine has a molecular weight of 185.15 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)indolizine is sourced from PubChem (CID 134834371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).