5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol

C19H26F3NO — CID 134425817

IUPAC5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
SMILESCCCCCCc1cc(C2=NCC(O)(C(F)(F)F)C2)ccc1CC
InChIInChI=1S/C19H26F3NO/c1-3-5-6-7-8-15-11-16(10-9-14(15)4-2)17-12-18(24,13-23-17)19(20,21)22/h9-11,24H,3-8,12-13H2,1-2H3
InChIKeyDJPJQCZEGFBKHY-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.86
Rot. Bonds7

About 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol

5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol (PubChem CID 134425817) has the molecular formula C19H26F3NO and a molecular weight of 341.42 g/mol. Its IUPAC name is 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol.

Molecular Properties

Compound Name5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
PubChem CID134425817
Molecular FormulaC19H26F3NO
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
SMILESCCCCCCc1cc(C2=NCC(O)(C(F)(F)F)C2)ccc1CC
InChIInChI=1S/C19H26F3NO/c1-3-5-6-7-8-15-11-16(10-9-14(15)4-2)17-12-18(24,13-23-17)19(20,21)22/h9-11,24H,3-8,12-13H2,1-2H3
InChIKeyDJPJQCZEGFBKHY-UHFFFAOYSA-N
XLogP4.86
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The IUPAC name of 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol (CID 134425817) is 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol.
What is the SMILES notation for 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The canonical SMILES for 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol is CCCCCCc1cc(C2=NCC(O)(C(F)(F)F)C2)ccc1CC.
What is the InChIKey of 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The InChIKey is DJPJQCZEGFBKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3NO/c1-3-5-6-7-8-15-11-16(10-9-14(15)4-2)17-12-18(24,13-23-17)19(20,21)22/h9-11,24H,3-8,12-13H2,1-2H3.
What are the key properties of 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol has a molecular weight of 341.42 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethyl-3-hexylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol is sourced from PubChem (CID 134425817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).