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

C8H10F3NO — CID 165445295

IUPAC[1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C8H10F3NO/c1-2-12-3-6(5-13)7(4-12)8(9,10)11/h3-4,13H,2,5H2,1H3
InChIKeyBNGXWJOXLYRKQT-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.02
Rot. Bonds2

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

[1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol (PubChem CID 165445295) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
PubChem CID165445295
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name[1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C8H10F3NO/c1-2-12-3-6(5-13)7(4-12)8(9,10)11/h3-4,13H,2,5H2,1H3
InChIKeyBNGXWJOXLYRKQT-UHFFFAOYSA-N
XLogP2.02
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol (CID 165445295) is [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol is CCn1cc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is BNGXWJOXLYRKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-2-12-3-6(5-13)7(4-12)8(9,10)11/h3-4,13H,2,5H2,1H3.
What are the key properties of [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol?
[1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 193.17 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-4-(trifluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 165445295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).