3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole

C8H8F3NO — CID 116875873

IUPAC3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole
SMILESFC(F)(F)C1(c2cc[nH]c2)COC1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(4-13-5-7)6-1-2-12-3-6/h1-3,12H,4-5H2
InChIKeyNMPFNMHKMUZGQQ-UHFFFAOYSA-N
MW191.15 g/mol
LogP1.85
Rot. Bonds1

About 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole

3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole (PubChem CID 116875873) has the molecular formula C8H8F3NO and a molecular weight of 191.15 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole
PubChem CID116875873
Molecular FormulaC8H8F3NO
Molecular Weight191.15 g/mol
Exact Mass191.06
IUPAC Name3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole
SMILESFC(F)(F)C1(c2cc[nH]c2)COC1
InChIInChI=1S/C8H8F3NO/c9-8(10,11)7(4-13-5-7)6-1-2-12-3-6/h1-3,12H,4-5H2
InChIKeyNMPFNMHKMUZGQQ-UHFFFAOYSA-N
XLogP1.85
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.15
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole?
The IUPAC name of 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole (CID 116875873) is 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole.
What is the SMILES notation for 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole?
The canonical SMILES for 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole is FC(F)(F)C1(c2cc[nH]c2)COC1.
What is the InChIKey of 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole?
The InChIKey is NMPFNMHKMUZGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO/c9-8(10,11)7(4-13-5-7)6-1-2-12-3-6/h1-3,12H,4-5H2.
What are the key properties of 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole?
3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole has a molecular weight of 191.15 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)oxetan-3-yl]-1H-pyrrole is sourced from PubChem (CID 116875873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).