[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol

C6H6F3NO — CID 84652001

IUPAC[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
SMILESOCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h1-2,10-11H,3H2
InChIKeyZPRDPRDEUXQCLS-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.53
Rot. Bonds1

About [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol

[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol (PubChem CID 84652001) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
PubChem CID84652001
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
SMILESOCc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C6H6F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h1-2,10-11H,3H2
InChIKeyZPRDPRDEUXQCLS-UHFFFAOYSA-N
XLogP1.53
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol?
The IUPAC name of [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol (CID 84652001) is [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol?
The canonical SMILES for [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol is OCc1c[nH]cc1C(F)(F)F.
What is the InChIKey of [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol?
The InChIKey is ZPRDPRDEUXQCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h1-2,10-11H,3H2.
What are the key properties of [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol?
[4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol has a molecular weight of 165.11 g/mol, XLogP of 1.53, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol is sourced from PubChem (CID 84652001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).