acetic acid;1-methyl-3-(trifluoromethyl)pyrrole

C8H10F3NO2 — CID 142074851

IUPACacetic acid;1-methyl-3-(trifluoromethyl)pyrrole
SMILESCC(=O)O.Cn1ccc(C(F)(F)F)c1
InChIInChI=1S/C6H6F3N.C2H4O2/c1-10-3-2-5(4-10)6(7,8)9;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeyBDIJLTMRQBMAMV-UHFFFAOYSA-N
MW209.17 g/mol
LogP2.13
Rot. Bonds

About acetic acid;1-methyl-3-(trifluoromethyl)pyrrole

acetic acid;1-methyl-3-(trifluoromethyl)pyrrole (PubChem CID 142074851) has the molecular formula C8H10F3NO2 and a molecular weight of 209.17 g/mol. Its IUPAC name is acetic acid;1-methyl-3-(trifluoromethyl)pyrrole.

Molecular Properties

Compound Nameacetic acid;1-methyl-3-(trifluoromethyl)pyrrole
PubChem CID142074851
Molecular FormulaC8H10F3NO2
Molecular Weight209.17 g/mol
Exact Mass209.07
IUPAC Nameacetic acid;1-methyl-3-(trifluoromethyl)pyrrole
SMILESCC(=O)O.Cn1ccc(C(F)(F)F)c1
InChIInChI=1S/C6H6F3N.C2H4O2/c1-10-3-2-5(4-10)6(7,8)9;1-2(3)4/h2-4H,1H3;1H3,(H,3,4)
InChIKeyBDIJLTMRQBMAMV-UHFFFAOYSA-N
XLogP2.13
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.17
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetic acid;1-methyl-3-(trifluoromethyl)pyrrole?
The IUPAC name of acetic acid;1-methyl-3-(trifluoromethyl)pyrrole (CID 142074851) is acetic acid;1-methyl-3-(trifluoromethyl)pyrrole.
What is the SMILES notation for acetic acid;1-methyl-3-(trifluoromethyl)pyrrole?
The canonical SMILES for acetic acid;1-methyl-3-(trifluoromethyl)pyrrole is CC(=O)O.Cn1ccc(C(F)(F)F)c1.
What is the InChIKey of acetic acid;1-methyl-3-(trifluoromethyl)pyrrole?
The InChIKey is BDIJLTMRQBMAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N.C2H4O2/c1-10-3-2-5(4-10)6(7,8)9;1-2(3)4/h2-4H,1H3;1H3,(H,3,4).
What are the key properties of acetic acid;1-methyl-3-(trifluoromethyl)pyrrole?
acetic acid;1-methyl-3-(trifluoromethyl)pyrrole has a molecular weight of 209.17 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;1-methyl-3-(trifluoromethyl)pyrrole is sourced from PubChem (CID 142074851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).