6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine

C16H12F3NO — CID 167692317

IUPAC6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine
SMILESCc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cn2c1
InChIInChI=1S/C16H12F3NO/c1-11-5-6-14-7-13(10-20(14)9-11)12-3-2-4-15(8-12)21-16(17,18)19/h2-10H,1H3
InChIKeyGGQPIMSPQQUVPC-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.81
Rot. Bonds2

About 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine

6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine (PubChem CID 167692317) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine.

Molecular Properties

Compound Name6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine
PubChem CID167692317
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine
SMILESCc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cn2c1
InChIInChI=1S/C16H12F3NO/c1-11-5-6-14-7-13(10-20(14)9-11)12-3-2-4-15(8-12)21-16(17,18)19/h2-10H,1H3
InChIKeyGGQPIMSPQQUVPC-UHFFFAOYSA-N
XLogP4.81
TPSA13.64 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-phenyl-3-(trifluoromethoxy)benzene
CID 46315186
1-methyl-3-[3-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)benzene
CID 169072366
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
3-methyl-4-[3-(trifluoromethoxy)phenyl]thiophene
CID 145460723
4-methyl-2,6-bis[3-(trifluoromethoxy)phenyl]aniline
CID 23628482
1-methyl-2-[3-(trifluoromethoxy)phenyl]benzene
CID 18715807
4-[3-(trifluoromethoxy)phenyl]pyridine
CID 46317167
3,5-bis[3-(trifluoromethoxy)phenyl]pyridine
CID 134623402
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
1,3-bis[3-(trifluoromethoxy)phenoxy]benzene
CID 154161092
2-[3-(trifluoromethoxy)phenyl]thiophene
CID 69382382
1-(2,2-dimethylpropyl)-3-[3-(trifluoromethoxy)phenyl]benzene
CID 122487160

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine?
The IUPAC name of 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine (CID 167692317) is 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine.
What is the SMILES notation for 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine?
The canonical SMILES for 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine is Cc1ccc2cc(-c3cccc(OC(F)(F)F)c3)cn2c1.
What is the InChIKey of 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine?
The InChIKey is GGQPIMSPQQUVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c1-11-5-6-14-7-13(10-20(14)9-11)12-3-2-4-15(8-12)21-16(17,18)19/h2-10H,1H3.
What are the key properties of 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine?
6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine has a molecular weight of 291.27 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[3-(trifluoromethoxy)phenyl]indolizine is sourced from PubChem (CID 167692317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).