[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol

C8H10F3NO2 — CID 106705433

IUPAC[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(COCC(F)(F)F)c1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-6-12-2-1-7(3-12)4-13/h1-3,13H,4-6H2
InChIKeyUVLKEVPXTRBBPN-UHFFFAOYSA-N
MW209.17 g/mol
LogP1.52
Rot. Bonds4

About [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol

[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol (PubChem CID 106705433) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol
PubChem CID106705433
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Name[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol
SMILESOCc1ccn(COCC(F)(F)F)c1
InChIInChI=1S/C8H10F3NO2/c9-8(10,11)5-14-6-12-2-1-7(3-12)4-13/h1-3,13H,4-6H2
InChIKeyUVLKEVPXTRBBPN-UHFFFAOYSA-N
XLogP1.52
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methylpyrrole-3-methanol
CID 149434
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
1-(2-propynyl)-3-trifluoromethyl-1H-pyrrole-4-methanol
CID 14370788
[1-(Trifluoromethyl)pyrrol-3-yl]methanol
CID 21221494
1-(1-Ethylpyrrol-3-yl)-2,2,2-trifluoroethanol
CID 81604002
[1-Methyl-4-(trifluoromethyl)-1H-pyrrol-3-yl]methanol
CID 84656745
Tert-butyl 3-(difluoromethoxymethyl)pyrrole-1-carboxylate
CID 89580375
[4-(Trifluoromethyl)-1-(2-trimethylsilylethoxymethyl)pyrrol-3-yl]methanol
CID 140747701
[1-[(2E,3E)-2-ethylidene-4-(trifluoromethoxy)hexa-3,5-dienyl]pyrrol-3-yl]methanol
CID 144770290
1-(1-Tert-butylpyrrol-3-yl)-2,2,2-trifluoroethanol
CID 166572690
3-(Sulfanyloxymethyl)-1-(trifluoromethyl)pyrrole
CID 174790864
[1-(Trifluoromethyl)pyrrol-3-yl]methyl hydrogen sulfate
CID 174790865

Frequently Asked Questions

What is the IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol (CID 106705433) is [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol is OCc1ccn(COCC(F)(F)F)c1.
What is the InChIKey of [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol?
The InChIKey is UVLKEVPXTRBBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO2/c9-8(10,11)5-14-6-12-2-1-7(3-12)4-13/h1-3,13H,4-6H2.
What are the key properties of [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol?
[1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol has a molecular weight of 209.17 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2,2-trifluoroethoxymethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 106705433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).