1-methyl-4-(trifluoromethyl)pyrrol-2-ol

C6H6F3NO — CID 11321153

IUPAC1-methyl-4-(trifluoromethyl)pyrrol-2-ol
SMILESCn1cc(C(F)(F)F)cc1O
InChIInChI=1S/C6H6F3NO/c1-10-3-4(2-5(10)11)6(7,8)9/h2-3,11H,1H3
InChIKeyODOFCPKHXQCHOJ-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.75
Rot. Bonds

About 1-methyl-4-(trifluoromethyl)pyrrol-2-ol

1-methyl-4-(trifluoromethyl)pyrrol-2-ol (PubChem CID 11321153) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is 1-methyl-4-(trifluoromethyl)pyrrol-2-ol.

Molecular Properties

Compound Name1-methyl-4-(trifluoromethyl)pyrrol-2-ol
PubChem CID11321153
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name1-methyl-4-(trifluoromethyl)pyrrol-2-ol
SMILESCn1cc(C(F)(F)F)cc1O
InChIInChI=1S/C6H6F3NO/c1-10-3-4(2-5(10)11)6(7,8)9/h2-3,11H,1H3
InChIKeyODOFCPKHXQCHOJ-UHFFFAOYSA-N
XLogP1.75
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrol-2-ol?
The IUPAC name of 1-methyl-4-(trifluoromethyl)pyrrol-2-ol (CID 11321153) is 1-methyl-4-(trifluoromethyl)pyrrol-2-ol.
What is the SMILES notation for 1-methyl-4-(trifluoromethyl)pyrrol-2-ol?
The canonical SMILES for 1-methyl-4-(trifluoromethyl)pyrrol-2-ol is Cn1cc(C(F)(F)F)cc1O.
What is the InChIKey of 1-methyl-4-(trifluoromethyl)pyrrol-2-ol?
The InChIKey is ODOFCPKHXQCHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c1-10-3-4(2-5(10)11)6(7,8)9/h2-3,11H,1H3.
What are the key properties of 1-methyl-4-(trifluoromethyl)pyrrol-2-ol?
1-methyl-4-(trifluoromethyl)pyrrol-2-ol has a molecular weight of 165.11 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(trifluoromethyl)pyrrol-2-ol is sourced from PubChem (CID 11321153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).