2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate

C8H8F3NO2 — CID 10584436

IUPAC2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate
SMILESO=C(Cc1cc[nH]c1)OCC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7(13)3-6-1-2-12-4-6/h1-2,4,12H,3,5H2
InChIKeyRPLJRGRSTCXVBD-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.66
Rot. Bonds3

About 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate

2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate (PubChem CID 10584436) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate.

Molecular Properties

Compound Name2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate
PubChem CID10584436
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate
SMILESO=C(Cc1cc[nH]c1)OCC(F)(F)F
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7(13)3-6-1-2-12-4-6/h1-2,4,12H,3,5H2
InChIKeyRPLJRGRSTCXVBD-UHFFFAOYSA-N
XLogP1.66
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate?
The IUPAC name of 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate (CID 10584436) is 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate.
What is the SMILES notation for 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate?
The canonical SMILES for 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate is O=C(Cc1cc[nH]c1)OCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate?
The InChIKey is RPLJRGRSTCXVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)5-14-7(13)3-6-1-2-12-4-6/h1-2,4,12H,3,5H2.
What are the key properties of 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate?
2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate has a molecular weight of 207.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethyl 2-(1H-pyrrol-3-yl)acetate is sourced from PubChem (CID 10584436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).