5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol

C15H18F3NO — CID 134425514

IUPAC5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
SMILESCCc1ccc(C2=NCC(O)(C(F)(F)F)C2)cc1CC
InChIInChI=1S/C15H18F3NO/c1-3-10-5-6-12(7-11(10)4-2)13-8-14(20,9-19-13)15(16,17)18/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyFQIGGFJBJTYXKN-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.30
Rot. Bonds3

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

5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol (PubChem CID 134425514) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol.

Molecular Properties

Compound Name5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
PubChem CID134425514
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol
SMILESCCc1ccc(C2=NCC(O)(C(F)(F)F)C2)cc1CC
InChIInChI=1S/C15H18F3NO/c1-3-10-5-6-12(7-11(10)4-2)13-8-14(20,9-19-13)15(16,17)18/h5-7,20H,3-4,8-9H2,1-2H3
InChIKeyFQIGGFJBJTYXKN-UHFFFAOYSA-N
XLogP3.30
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The IUPAC name of 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol (CID 134425514) is 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol.
What is the SMILES notation for 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The canonical SMILES for 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol is CCc1ccc(C2=NCC(O)(C(F)(F)F)C2)cc1CC.
What is the InChIKey of 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
The InChIKey is FQIGGFJBJTYXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-3-10-5-6-12(7-11(10)4-2)13-8-14(20,9-19-13)15(16,17)18/h5-7,20H,3-4,8-9H2,1-2H3.
What are the key properties of 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol?
5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol has a molecular weight of 285.31 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-diethylphenyl)-3-(trifluoromethyl)-2,4-dihydropyrrol-3-ol is sourced from PubChem (CID 134425514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).