3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole

C11H7F4N — CID 174897373

IUPAC3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESFc1c(-c2cc[nH]c2)cccc1C(F)(F)F
InChIInChI=1S/C11H7F4N/c12-10-8(7-4-5-16-6-7)2-1-3-9(10)11(13,14)15/h1-6,16H
InChIKeyLOZNBHCNZIKENM-UHFFFAOYSA-N
MW229.18 g/mol
LogP3.84
Rot. Bonds1

About 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole

3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole (PubChem CID 174897373) has the molecular formula C11H7F4N and a molecular weight of 229.18 g/mol. Its IUPAC name is 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole
PubChem CID174897373
Molecular FormulaC11H7F4N
Molecular Weight229.18 g/mol
Exact Mass229.05
IUPAC Name3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole
SMILESFc1c(-c2cc[nH]c2)cccc1C(F)(F)F
InChIInChI=1S/C11H7F4N/c12-10-8(7-4-5-16-6-7)2-1-3-9(10)11(13,14)15/h1-6,16H
InChIKeyLOZNBHCNZIKENM-UHFFFAOYSA-N
XLogP3.84
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole?
The IUPAC name of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole (CID 174897373) is 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole.
What is the SMILES notation for 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole?
The canonical SMILES for 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole is Fc1c(-c2cc[nH]c2)cccc1C(F)(F)F.
What is the InChIKey of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole?
The InChIKey is LOZNBHCNZIKENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4N/c12-10-8(7-4-5-16-6-7)2-1-3-9(10)11(13,14)15/h1-6,16H.
What are the key properties of 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole?
3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole has a molecular weight of 229.18 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrrole is sourced from PubChem (CID 174897373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).