2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol

C12H10F3NO — CID 134963679

IUPAC2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol
SMILESCC1=NC(c2ccccc2)(C(F)(F)F)C=C1O
InChIInChI=1S/C12H10F3NO/c1-8-10(17)7-11(16-8,12(13,14)15)9-5-3-2-4-6-9/h2-7,17H,1H3
InChIKeyBUAKNTBSCSAWRT-UHFFFAOYSA-N
MW241.21 g/mol
LogP3.36
Rot. Bonds1

About 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol

2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol (PubChem CID 134963679) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol.

Molecular Properties

Compound Name2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol
PubChem CID134963679
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol
SMILESCC1=NC(c2ccccc2)(C(F)(F)F)C=C1O
InChIInChI=1S/C12H10F3NO/c1-8-10(17)7-11(16-8,12(13,14)15)9-5-3-2-4-6-9/h2-7,17H,1H3
InChIKeyBUAKNTBSCSAWRT-UHFFFAOYSA-N
XLogP3.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol?
The IUPAC name of 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol (CID 134963679) is 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol.
What is the SMILES notation for 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol?
The canonical SMILES for 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol is CC1=NC(c2ccccc2)(C(F)(F)F)C=C1O.
What is the InChIKey of 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol?
The InChIKey is BUAKNTBSCSAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-8-10(17)7-11(16-8,12(13,14)15)9-5-3-2-4-6-9/h2-7,17H,1H3.
What are the key properties of 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol?
2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol has a molecular weight of 241.21 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-phenyl-5-(trifluoromethyl)pyrrol-3-ol is sourced from PubChem (CID 134963679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).