[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

C25H17F6NO2 — CID 170222147

IUPAC[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(O)c1ccc(-c2cc(C(=O)c3ccc(C(F)(F)F)cc3)n3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C25H17F6NO2/c1-14(33)15-2-4-16(5-3-15)20-13-22(32-11-10-19(12-21(20)32)25(29,30)31)23(34)17-6-8-18(9-7-17)24(26,27)28/h2-14,33H,1H3
InChIKeyGNMVQBADOQAOST-UHFFFAOYSA-N
MW477.40 g/mol
LogP6.93
Rot. Bonds4

About [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone

[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 170222147) has the molecular formula C25H17F6NO2 and a molecular weight of 477.40 g/mol. Its IUPAC name is [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
PubChem CID170222147
Molecular FormulaC25H17F6NO2
Molecular Weight477.40 g/mol
Exact Mass477.12
IUPAC Name[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(O)c1ccc(-c2cc(C(=O)c3ccc(C(F)(F)F)cc3)n3ccc(C(F)(F)F)cc23)cc1
InChIInChI=1S/C25H17F6NO2/c1-14(33)15-2-4-16(5-3-15)20-13-22(32-11-10-19(12-21(20)32)25(29,30)31)23(34)17-6-8-18(9-7-17)24(26,27)28/h2-14,33H,1H3
InChIKeyGNMVQBADOQAOST-UHFFFAOYSA-N
XLogP6.93
TPSA41.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.40
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone (CID 170222147) is [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is CC(O)c1ccc(-c2cc(C(=O)c3ccc(C(F)(F)F)cc3)n3ccc(C(F)(F)F)cc23)cc1.
What is the InChIKey of [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is GNMVQBADOQAOST-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F6NO2/c1-14(33)15-2-4-16(5-3-15)20-13-22(32-11-10-19(12-21(20)32)25(29,30)31)23(34)17-6-8-18(9-7-17)24(26,27)28/h2-14,33H,1H3.
What are the key properties of [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone?
[1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 477.40 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1-hydroxyethyl)phenyl]-7-(trifluoromethyl)indolizin-3-yl]-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 170222147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).