3-fluoro-2-(trifluoromethyl)-1H-pyrrole

C5H3F4N — CID 175283071

IUPAC3-fluoro-2-(trifluoromethyl)-1H-pyrrole
SMILESFc1cc[nH]c1C(F)(F)F
InChIInChI=1S/C5H3F4N/c6-3-1-2-10-4(3)5(7,8)9/h1-2,10H
InChIKeyXOZMNXLAZCLVKB-UHFFFAOYSA-N
MW153.08 g/mol
LogP2.17
Rot. Bonds

About 3-fluoro-2-(trifluoromethyl)-1H-pyrrole

3-fluoro-2-(trifluoromethyl)-1H-pyrrole (PubChem CID 175283071) has the molecular formula C5H3F4N and a molecular weight of 153.08 g/mol. Its IUPAC name is 3-fluoro-2-(trifluoromethyl)-1H-pyrrole.

Molecular Properties

Compound Name3-fluoro-2-(trifluoromethyl)-1H-pyrrole
PubChem CID175283071
Molecular FormulaC5H3F4N
Molecular Weight153.08 g/mol
Exact Mass153.02
IUPAC Name3-fluoro-2-(trifluoromethyl)-1H-pyrrole
SMILESFc1cc[nH]c1C(F)(F)F
InChIInChI=1S/C5H3F4N/c6-3-1-2-10-4(3)5(7,8)9/h1-2,10H
InChIKeyXOZMNXLAZCLVKB-UHFFFAOYSA-N
XLogP2.17
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.08
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(trifluoromethyl)-1H-pyrrole?
The IUPAC name of 3-fluoro-2-(trifluoromethyl)-1H-pyrrole (CID 175283071) is 3-fluoro-2-(trifluoromethyl)-1H-pyrrole.
What is the SMILES notation for 3-fluoro-2-(trifluoromethyl)-1H-pyrrole?
The canonical SMILES for 3-fluoro-2-(trifluoromethyl)-1H-pyrrole is Fc1cc[nH]c1C(F)(F)F.
What is the InChIKey of 3-fluoro-2-(trifluoromethyl)-1H-pyrrole?
The InChIKey is XOZMNXLAZCLVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F4N/c6-3-1-2-10-4(3)5(7,8)9/h1-2,10H.
What are the key properties of 3-fluoro-2-(trifluoromethyl)-1H-pyrrole?
3-fluoro-2-(trifluoromethyl)-1H-pyrrole has a molecular weight of 153.08 g/mol, XLogP of 2.17, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(trifluoromethyl)-1H-pyrrole is sourced from PubChem (CID 175283071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).