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

C6H6F3NO — CID 21221494

IUPAC[1-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(C(F)(F)F)c1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)10-2-1-5(3-10)4-11/h1-3,11H,4H2
InChIKeyUAYVQXMEMKNSGQ-UHFFFAOYSA-N
MW165.11 g/mol
LogP1.46
Rot. Bonds1

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

[1-(trifluoromethyl)pyrrol-3-yl]methanol (PubChem CID 21221494) has the molecular formula C6H6F3NO and a molecular weight of 165.11 g/mol. Its IUPAC name is [1-(trifluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(trifluoromethyl)pyrrol-3-yl]methanol
PubChem CID21221494
Molecular FormulaC6H6F3NO
Molecular Weight165.11 g/mol
Exact Mass165.04
IUPAC Name[1-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(C(F)(F)F)c1
InChIInChI=1S/C6H6F3NO/c7-6(8,9)10-2-1-5(3-10)4-11/h1-3,11H,4H2
InChIKeyUAYVQXMEMKNSGQ-UHFFFAOYSA-N
XLogP1.46
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.11
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(trifluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(trifluoromethyl)pyrrol-3-yl]methanol (CID 21221494) is [1-(trifluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(trifluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(trifluoromethyl)pyrrol-3-yl]methanol is OCc1ccn(C(F)(F)F)c1.
What is the InChIKey of [1-(trifluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is UAYVQXMEMKNSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3NO/c7-6(8,9)10-2-1-5(3-10)4-11/h1-3,11H,4H2.
What are the key properties of [1-(trifluoromethyl)pyrrol-3-yl]methanol?
[1-(trifluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 165.11 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(trifluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 21221494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).